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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-N-phenyl-piperazine-1-carbothioamide Formula: C18H21N7O2S MolecularWeight: 399.47004

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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=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C18H21N7O2S/c1-22-14-13(15(26)23(2)18(22)27)20-16(21-14)24-8-10-25(11-9-24)17(28)19-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,19,28)(H,20,21)