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

Systemtic Name: N-cyclopropyl-4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazine-1-carbothioamide Openeye Name: N-cyclopropyl-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carbothioamide CAS Name: N-cyclopropyl-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1-piperazinecarbothioamide IUPAC Name: N-cyclopropyl-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carbothioamide Traditional Name: N-cyclopropyl-4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)piperazine-1-carbothioamide Formula: C15H21N7O2S MolecularWeight: 363.43794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4CC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4CC4

InChI

InChI=1S/C15H21N7O2S/c1-19-11-10(12(23)20(2)15(19)24)17-13(18-11)21-5-7-22(8-6-21)14(25)16-9-3-4-9/h9H,3-8H2,1-2H3,(H,16,25)(H,17,18)