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

Systemtic Name: N-(4-methoxyphenyl)-4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carbothioamide Openeye Name: N-(4-methoxyphenyl)-4-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)piperazine-1-carbothioamide CAS Name: N-(4-methoxyphenyl)-4-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-methoxyphenyl)-4-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)piperazine-1-carbothioamide Traditional Name: 4-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide Formula: C20H25N7O3S MolecularWeight: 443.5226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCN(CC3)C(=S)NC4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N3CCN(CC3)C(=S)NC4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H25N7O3S/c1-23-15-16(24(2)20(29)25(3)17(15)28)22-18(23)26-9-11-27(12-10-26)19(31)21-13-5-7-14(30-4)8-6-13/h5-8H,9-12H2,1-4H3,(H,21,31)