3-(diphenylmethyl)-8-(1-piperazin-1-ylpropyl)-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 3-(diphenylmethyl)-8-(1-piperazin-1-ylpropyl)-6-sulfanylidene-7H-purin-2-one Openeye Name: 3-benzhydryl-8-(1-piperazin-1-ylpropyl)-6-thioxo-7H-purin-2-one CAS Name: 3-(diphenylmethyl)-8-[1-(1-piperazinyl)propyl]-6-sulfanylidene-7H-purin-2-one IUPAC Name: 3-benzhydryl-8-(1-piperazin-1-ylpropyl)-6-sulfanylidene-7H-purin-2-one Traditional Name: 3-benzhydryl-8-(1-piperazinopropyl)-6-thioxo-7H-purin-2-one Formula: C25H28N6OS MolecularWeight: 460.59442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1)C(=S)NC(=O)N2C(C3=CC=CC=C3)C4=CC=CC=C4)N5CCNCC5

Isomeric SMILES

CCC(C1=NC2=C(N1)C(=S)NC(=O)N2C(C3=CC=CC=C3)C4=CC=CC=C4)N5CCNCC5

InChI

InChI=1S/C25H28N6OS/c1-2-19(30-15-13-26-14-16-30)22-27-20-23(28-22)31(25(32)29-24(20)33)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,21,26H,2,13-16H2,1H3,(H,27,28)(H,29,32,33)