(4-pyridin-2-ylpiperazin-1-yl)-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexyl]methanone

Systemtic Name: (4-pyridin-2-ylpiperazin-1-yl)-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexyl]methanone Openeye Name: [4-(2-pyridyl)piperazin-1-yl]-[4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexyl]methanone CAS Name: [4-(2-pyridinyl)-1-piperazinyl]-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexyl]methanone IUPAC Name: (4-pyridin-2-ylpiperazin-1-yl)-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexyl]methanone Traditional Name: [4-(2-pyridyl)piperazino]-[4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexyl]methanone Formula: C25H30N6OS MolecularWeight: 462.6103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C25H30N6OS/c32-24(31-15-13-30(14-16-31)22-7-3-4-12-26-22)19-10-8-18(9-11-19)17-27-23-20-5-1-2-6-21(20)28-25(33)29-23/h1-7,12,18-19H,8-11,13-17H2,(H2,27,28,29,33)