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

Systemtic Name: N-(3-cyanophenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(3-cyanophenyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(3-cyanophenyl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(3-cyanophenyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-(3-cyanophenyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H18N6O3/c1-22-16-15(17(26)23(2)18(22)27)24(11-20-16)8-4-7-14(25)21-13-6-3-5-12(9-13)10-19/h3,5-6,9,11H,4,7-8H2,1-2H3,(H,21,25)