2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

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