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

Systemtic Name: N-(2,6-diethylphenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(2,6-diethylphenyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(2,6-diethylphenyl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(2,6-diethylphenyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-(2,6-diethylphenyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27N5O3/c1-5-14-9-7-10-15(6-2)17(14)23-16(27)11-8-12-26-13-22-19-18(26)20(28)25(4)21(29)24(19)3/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,23,27)