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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-N-ethyl-piperazine-1-carbothioamide Formula: C14H21N7O2S MolecularWeight: 351.42724

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCNC(=S)N1CCN(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H21N7O2S/c1-4-15-13(24)21-7-5-20(6-8-21)12-16-9-10(17-12)18(2)14(23)19(3)11(9)22/h4-8H2,1-3H3,(H,15,24)(H,16,17)