7U2

(3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine

Created:	2021-08-20
Last modified:	2022-03-23

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1 entries where 7U2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	1
Bond Count	59
Aromatic Bond Count	12

2D diagram of 7U2

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Chemical Component Summary
Name	(3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine
Systematic Name (OpenEye OEToolkits)	(8~{R})-~{N}-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
Formula	C₂₂ H₂₇ F N₄ O
Molecular Weight	382.474
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccccc1CN1CCC2(C1)COCc1c(C)nc(NCC3CC3)nc12
SMILES	CACTVS	3.385	Cc1nc(NCC2CC2)nc3c1COC[C]34CCN(Cc5ccccc5F)C4
SMILES	OpenEye OEToolkits	2.0.7	Cc1c2c(nc(n1)NCC3CC3)C4(CCN(C4)Cc5ccccc5F)COC2
Canonical SMILES	CACTVS	3.385	Cc1nc(NCC2CC2)nc3c1COC[C@@]34CCN(Cc5ccccc5F)C4
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c2c(nc(n1)NCC3CC3)[C@]4(CCN(C4)Cc5ccccc5F)COC2
InChI	InChI	1.03	InChI=1S/C22H27FN4O/c1-15-18-12-28-14-22(20(18)26-21(25-15)24-10-16-6-7-16)8-9-27(13-22)11-17-4-2-3-5-19(17)23/h2-5,16H,6-14H2,1H3,(H,24,25,26)/t22-/m0/s1
InChIKey	InChI	1.03	YMQILTXHLHBFSK-QFIPXVFZSA-N

Related Resource References

Resource Name	Reference
PubChem	97507059

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