4-[[(7R)-5,7-dimethyl-8-(3-methylbutyl)-6-oxidanylidene-7H-pteridin-2-yl]amino]-3-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide

Systemtic Name: 4-[[(7R)-5,7-dimethyl-8-(3-methylbutyl)-6-oxidanylidene-7H-pteridin-2-yl]amino]-3-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide Openeye Name: 4-[[(7R)-8-isopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide CAS Name: 4-[[(7R)-5,7-dimethyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide IUPAC Name: 4-[[(7R)-5,7-dimethyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide Traditional Name: 4-[[(7R)-8-isoamyl-6-keto-5,7-dimethyl-7H-pteridin-2-yl]amino]-3-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide Formula: C29H41N7O3 MolecularWeight: 535.68094

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=C(C=C(C=C3)C(=O)NC4CC5CCC(C4)N5C)OC)C

Isomeric SMILES

C[C@@H]1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=C(C=C(C=C3)C(=O)NC4CC5CCC(C4)N5C)OC)C

InChI

InChI=1S/C29H41N7O3/c1-17(2)11-12-36-18(3)28(38)35(5)24-16-30-29(33-26(24)36)32-23-10-7-19(13-25(23)39-6)27(37)31-20-14-21-8-9-22(15-20)34(21)4/h7,10,13,16-18,20-22H,8-9,11-12,14-15H2,1-6H3,(H,31,37)(H,30,32,33)/t18-,20?,21?,22?/m1/s1