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

Systemtic Name: N-cyclopentyl-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-cyclopentyl-piperazine-1-carbothioamide CAS Name: N-cyclopentyl-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-cyclopentylpiperazine-1-carbothioamide Traditional Name: 4-(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)-N-cyclopentyl-piperazine-1-carbothioamide Formula: C24H31N7O2S MolecularWeight: 481.61364

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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)NC4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=S)NC4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H31N7O2S/c1-27-20-19(21(32)28(2)24(27)33)31(16-17-8-4-3-5-9-17)22(26-20)29-12-14-30(15-13-29)23(34)25-18-10-6-7-11-18/h3-5,8-9,18H,6-7,10-16H2,1-2H3,(H,25,34)