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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CCN(CC3)C(=S)NCCC4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CCN(CC3)C(=S)NCCC4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H31N7O2S/c1-4-12-30-18-19(26(2)23(32)27(3)20(18)31)25-21(30)28-13-15-29(16-14-28)22(33)24-11-10-17-8-6-5-7-9-17/h5-9H,4,10-16H2,1-3H3,(H,24,33)