6RX

(5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione

Created:	2016-06-09
Last modified:	2017-08-02

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1 entries where 6RX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	6

2D diagram of 6RX

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Chemical Component Summary
Name	(5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione
Systematic Name (OpenEye OEToolkits)	(5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione
Formula	C₁₈ H₁₇ N₃ O₄
Molecular Weight	339.345
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCN1C(=O)NC(=O)C2=C1NC3=C([CH]2c4ccc(C)cc4)C(=O)OC3
SMILES	OpenEye OEToolkits	2.0.5	CCN1C2=C(C(C3=C(N2)COC3=O)c4ccc(cc4)C)C(=O)NC1=O
Canonical SMILES	CACTVS	3.385	CCN1C(=O)NC(=O)C2=C1NC3=C([C@H]2c4ccc(C)cc4)C(=O)OC3
Canonical SMILES	OpenEye OEToolkits	2.0.5	CCN1C2=C([C@@H](C3=C(N2)COC3=O)c4ccc(cc4)C)C(=O)NC1=O
InChI	InChI	1.03	InChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7,12,19H,3,8H2,1-2H3,(H,20,22,24)/t12-/m1/s1
InChIKey	InChI	1.03	MUOCQMZJLRQTRD-GFCCVEGCSA-N

Related Resource References

Resource Name	Reference
PubChem	7254019

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