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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenethyl-butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-phenethyl-butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-phenethylbutanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenethylbutanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-phenethyl-butyramide Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O3/c1-22-17-16(18(26)23(2)19(22)27)24(13-21-17)12-6-9-15(25)20-11-10-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,20,25)