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

Systemtic Name: N-cyclopropyl-4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]piperazine-1-carbothioamide Openeye Name: 4-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)-N-cyclopropyl-piperazine-1-carbothioamide CAS Name: N-cyclopropyl-4-[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]-1-piperazinecarbothioamide IUPAC Name: 4-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)-N-cyclopropylpiperazine-1-carbothioamide Traditional Name: 4-(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)-N-cyclopropyl-piperazine-1-carbothioamide Formula: C22H27N7O2S MolecularWeight: 453.56048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=S)NC4CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=S)NC4CC4)CC5=CC=CC=C5

InChI

InChI=1S/C22H27N7O2S/c1-25-18-17(19(30)26(2)22(25)31)29(14-15-6-4-3-5-7-15)20(24-18)27-10-12-28(13-11-27)21(32)23-16-8-9-16/h3-7,16H,8-14H2,1-2H3,(H,23,32)