4-cyclohexylsulfanyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline

Systemtic Name: 4-cyclohexylsulfanyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline Openeye Name: 4-cyclohexylsulfanyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline CAS Name: 4-(cyclohexylthio)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]quinazoline IUPAC Name: 4-cyclohexylsulfanyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline Traditional Name: 4-(cyclohexylthio)-2-[[4-(2-pyrimidyl)piperazino]methyl]quinazoline Formula: C23H28N6S MolecularWeight: 420.57362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC(CC1)SC2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H28N6S/c1-2-7-18(8-3-1)30-22-19-9-4-5-10-20(19)26-21(27-22)17-28-13-15-29(16-14-28)23-24-11-6-12-25-23/h4-6,9-12,18H,1-3,7-8,13-17H2