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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[(6-pyrrolidino-3-pyridyl)methyl]butyramide Formula: C21H27N7O3 MolecularWeight: 425.48418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O3/c1-25-19-18(20(30)26(2)21(25)31)28(14-24-19)11-5-6-17(29)23-13-15-7-8-16(22-12-15)27-9-3-4-10-27/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,23,29)