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

Systemtic Name: 4-(4-bromophenyl)sulfanyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline Openeye Name: 4-(4-bromophenyl)sulfanyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline CAS Name: 4-[(4-bromophenyl)thio]-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]quinazoline IUPAC Name: 4-(4-bromophenyl)sulfanyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline Traditional Name: 4-[(4-bromophenyl)thio]-2-[[4-(2-pyrimidyl)piperazino]methyl]quinazoline Formula: C23H21BrN6S MolecularWeight: 493.42204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)SC4=CC=C(C=C4)Br)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)SC4=CC=C(C=C4)Br)C5=NC=CC=N5

InChI

InChI=1S/C23H21BrN6S/c24-17-6-8-18(9-7-17)31-22-19-4-1-2-5-20(19)27-21(28-22)16-29-12-14-30(15-13-29)23-25-10-3-11-26-23/h1-11H,12-16H2