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

Systemtic Name: 4-(1-phenylbenzimidazol-2-yl)sulfanyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline Openeye Name: 4-(1-phenylbenzimidazol-2-yl)sulfanyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline CAS Name: 4-[(1-phenyl-2-benzimidazolyl)thio]-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]quinazoline IUPAC Name: 4-(1-phenylbenzimidazol-2-yl)sulfanyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline Traditional Name: 4-[(1-phenylbenzimidazol-2-yl)thio]-2-[[4-(2-pyrimidyl)piperazino]methyl]quinazoline Formula: C30H26N8S MolecularWeight: 530.64604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)SC4=NC5=CC=CC=C5N4C6=CC=CC=C6)C7=NC=CC=N7

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)SC4=NC5=CC=CC=C5N4C6=CC=CC=C6)C7=NC=CC=N7

InChI

InChI=1S/C30H26N8S/c1-2-9-22(10-3-1)38-26-14-7-6-13-25(26)34-30(38)39-28-23-11-4-5-12-24(23)33-27(35-28)21-36-17-19-37(20-18-36)29-31-15-8-16-32-29/h1-16H,17-21H2