N-(2,5-dimethoxyphenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carbothioamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C20H25N7O4S MolecularWeight: 459.522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C20H25N7O4S/c1-24-16-15(17(28)25(2)20(24)29)22-18(23-16)26-7-9-27(10-8-26)19(32)21-13-11-12(30-3)5-6-14(13)31-4/h5-6,11H,7-10H2,1-4H3,(H,21,32)(H,22,23)