4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxidanylidene-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-pyrrolidin-1-ylcyclohexyl)benzamide

Systemtic Name: 4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxidanylidene-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-pyrrolidin-1-ylcyclohexyl)benzamide Openeye Name: 4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-pyrrolidin-1-ylcyclohexyl)benzamide CAS Name: 4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-[4-(1-pyrrolidinyl)cyclohexyl]benzamide IUPAC Name: 4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-pyrrolidin-1-ylcyclohexyl)benzamide Traditional Name: 4-[[(7R)-8-cyclopentyl-6-keto-5,7-dimethyl-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-pyrrolidinocyclohexyl)benzamide Formula: C31H43N7O3 MolecularWeight: 561.71822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCC(CC5)N6CCCC6)OC)C

Isomeric SMILES

C[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCC(CC5)N6CCCC6)OC)C

InChI

InChI=1S/C31H43N7O3/c1-20-30(40)36(2)26-19-32-31(35-28(26)38(20)24-8-4-5-9-24)34-25-15-10-21(18-27(25)41-3)29(39)33-22-11-13-23(14-12-22)37-16-6-7-17-37/h10,15,18-20,22-24H,4-9,11-14,16-17H2,1-3H3,(H,33,39)(H,32,34,35)/t20-,22?,23?/m1/s1