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

Systemtic Name: N-(2-chlorophenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazine-1-carbothioamide Openeye Name: N-(2-chlorophenyl)-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carbothioamide CAS Name: N-(2-chlorophenyl)-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chlorophenyl)-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carbothioamide Traditional Name: N-(2-chlorophenyl)-4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)piperazine-1-carbothioamide Formula: C18H20ClN7O2S MolecularWeight: 433.9151

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4Cl

InChI

InChI=1S/C18H20ClN7O2S/c1-23-14-13(15(27)24(2)18(23)28)21-16(22-14)25-7-9-26(10-8-25)17(29)20-12-6-4-3-5-11(12)19/h3-6H,7-10H2,1-2H3,(H,20,29)(H,21,22)