2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[4-(pyrrolidine-1-carbonyl)benzyl]acetamide Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H24N6O4/c1-24-18-17(20(30)25(2)21(24)31)27(13-23-18)12-16(28)22-11-14-5-7-15(8-6-14)19(29)26-9-3-4-10-26/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,28)