4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-(4-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-acetylphenyl)-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carbothioamide CAS Name: N-(4-acetylphenyl)-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1-piperazinecarbothioamide IUPAC Name: N-(4-acetylphenyl)-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carbothioamide Traditional Name: N-(4-acetylphenyl)-4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)piperazine-1-carbothioamide Formula: C20H23N7O3S MolecularWeight: 441.50672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C20H23N7O3S/c1-12(28)13-4-6-14(7-5-13)21-19(31)27-10-8-26(9-11-27)18-22-15-16(23-18)24(2)20(30)25(3)17(15)29/h4-7H,8-11H2,1-3H3,(H,21,31)(H,22,23)