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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-(3-pyrrolidinoquinoxalin-2-yl)acetamide Formula: C21H22N8O3 MolecularWeight: 434.45118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=NC4=CC=CC=C4N=C3N5CCCC5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=NC4=CC=CC=C4N=C3N5CCCC5

InChI

InChI=1S/C21H22N8O3/c1-26-12-22-18-16(26)20(31)29(21(32)27(18)2)11-15(30)25-17-19(28-9-5-6-10-28)24-14-8-4-3-7-13(14)23-17/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,23,25,30)