1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]-2-(quinazolin-4-ylthio)ethanone Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)CSC3=NC=NC4=CC=CC=C43)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)CSC3=NC=NC4=CC=CC=C43)OC)OC

InChI

InChI=1S/C24H28N4O3S/c1-17-12-21(30-2)22(31-3)13-18(17)14-27-8-10-28(11-9-27)23(29)15-32-24-19-6-4-5-7-20(19)25-16-26-24/h4-7,12-13,16H,8-11,14-15H2,1-3H3