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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-(4-phenylazanylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-anilinophenyl)-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carbothioamide CAS Name: N-(4-anilinophenyl)-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1-piperazinecarbothioamide IUPAC Name: N-(4-anilinophenyl)-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carbothioamide Traditional Name: N-(4-anilinophenyl)-4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)piperazine-1-carbothioamide Formula: C24H26N8O2S MolecularWeight: 490.58064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)NC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)NC5=CC=CC=C5

InChI

InChI=1S/C24H26N8O2S/c1-29-20-19(21(33)30(2)24(29)34)27-22(28-20)31-12-14-32(15-13-31)23(35)26-18-10-8-17(9-11-18)25-16-6-4-3-5-7-16/h3-11,25H,12-15H2,1-2H3,(H,26,35)(H,27,28)