4-[[(7R)-5-azanyl-8-cyclopentyl-7-ethyl-6-oxidanylidene-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

Systemtic Name: 4-[[(7R)-5-azanyl-8-cyclopentyl-7-ethyl-6-oxidanylidene-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide Openeye Name: 4-[[(7R)-5-amino-8-cyclopentyl-7-ethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methyl-4-piperidyl)benzamide CAS Name: 4-[[(7R)-5-amino-8-cyclopentyl-7-ethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide IUPAC Name: 4-[[(7R)-5-amino-8-cyclopentyl-7-ethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide Traditional Name: 4-[[(7R)-5-amino-8-cyclopentyl-7-ethyl-6-keto-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methyl-4-piperidyl)benzamide Formula: C27H38N8O3 MolecularWeight: 522.64242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)N

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)N

InChI

InChI=1S/C27H38N8O3/c1-4-21-26(37)35(28)22-16-29-27(32-24(22)34(21)19-7-5-6-8-19)31-20-10-9-17(15-23(20)38-3)25(36)30-18-11-13-33(2)14-12-18/h9-10,15-16,18-19,21H,4-8,11-14,28H2,1-3H3,(H,30,36)(H,29,31,32)/t21-/m1/s1