6CD

2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one

Created:	2016-03-10
Last modified:	2016-06-22

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1 entries where 6CD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	1
Bond Count	53
Aromatic Bond Count	11

2D diagram of 6CD

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Chemical Component Summary
Name	2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one
Systematic Name (OpenEye OEToolkits)	2-(~{tert}-butylamino)-3-methyl-8-[(6~{R})-6-methyl-4-oxidanylidene-5,6-dihydro-1~{H}-pyrrolo[2,3-c]pyrrol-2-yl]quinazolin-4-one
Formula	C₂₀ H₂₃ N₅ O₂
Molecular Weight	365.429
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC1c4c(C(N1)=O)cc(c2cccc3C(=O)N(C)C(=Nc23)NC(C)(C)C)n4
SMILES	CACTVS	3.385	C[CH]1NC(=O)c2cc([nH]c12)c3cccc4C(=O)N(C)C(=Nc34)NC(C)(C)C
SMILES	OpenEye OEToolkits	2.0.4	CC1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C)NC(C)(C)C)C(=O)N1
Canonical SMILES	CACTVS	3.385	C[C@H]1NC(=O)c2cc([nH]c12)c3cccc4C(=O)N(C)C(=Nc34)NC(C)(C)C
Canonical SMILES	OpenEye OEToolkits	2.0.4	C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C)NC(C)(C)C)C(=O)N1
InChI	InChI	1.03	InChI=1S/C20H23N5O2/c1-10-15-13(17(26)21-10)9-14(22-15)11-7-6-8-12-16(11)23-19(24-20(2,3)4)25(5)18(12)27/h6-10,22H,1-5H3,(H,21,26)(H,23,24)/t10-/m1/s1
InChIKey	InChI	1.03	HLPARXMUJBJYFM-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3979678
PubChem	89782019
ChEMBL	CHEMBL3979678

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