2-[4-[[8-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]phenyl]-2-cyclopentyl-N-[(1R)-2-oxidanyl-1-phenyl-ethyl]ethanamide

Systemtic Name: 2-[4-[[8-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]phenyl]-2-cyclopentyl-N-[(1R)-2-oxidanyl-1-phenyl-ethyl]ethanamide Openeye Name: 2-[4-[[8-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-7-yl]methyl]phenyl]-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenyl-ethyl]acetamide CAS Name: 2-[4-[[8-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-7-purinyl]methyl]phenyl]-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide IUPAC Name: 2-[4-[[8-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]methyl]phenyl]-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide Traditional Name: 2-[4-[[8-(2-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-7-yl]methyl]phenyl]-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenyl-ethyl]acetamide Formula: C36H38ClN5O4 MolecularWeight: 640.17102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3Cl)CC4=CC=C(C=C4)C(C5CCCC5)C(=O)NC(CO)C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3Cl)CC4=CC=C(C=C4)C(C5CCCC5)C(=O)N[C@@H](CO)C6=CC=CC=C6

InChI

InChI=1S/C36H38ClN5O4/c1-40-33-32(35(45)41(2)36(40)46)42(30(39-33)20-27-14-8-9-15-28(27)37)21-23-16-18-26(19-17-23)31(25-12-6-7-13-25)34(44)38-29(22-43)24-10-4-3-5-11-24/h3-5,8-11,14-19,25,29,31,43H,6-7,12-13,20-22H2,1-2H3,(H,38,44)/t29-,31?/m0/s1