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

Systemtic Name: N-cyclopentyl-4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazine-1-carbothioamide Openeye Name: N-cyclopentyl-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carbothioamide CAS Name: N-cyclopentyl-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1-piperazinecarbothioamide IUPAC Name: N-cyclopentyl-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carbothioamide Traditional Name: N-cyclopentyl-4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)piperazine-1-carbothioamide Formula: C17H25N7O2S MolecularWeight: 391.4911

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4CCCC4

InChI

InChI=1S/C17H25N7O2S/c1-21-13-12(14(25)22(2)17(21)26)19-15(20-13)23-7-9-24(10-8-23)16(27)18-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,18,27)(H,19,20)