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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)-N-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Formula: C23H31N7O2S MolecularWeight: 469.60294

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CCN(CC3)C(=S)NC4=CC=CC(=C4C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CCN(CC3)C(=S)NC4=CC=CC(=C4C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H31N7O2S/c1-6-10-30-18-19(26(4)23(32)27(5)20(18)31)25-21(30)28-11-13-29(14-12-28)22(33)24-17-9-7-8-15(2)16(17)3/h7-9H,6,10-14H2,1-5H3,(H,24,33)