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

Systemtic Name: 4-pyridin-2-ylsulfanyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline Openeye Name: 4-(2-pyridylsulfanyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline CAS Name: 4-(2-pyridinylthio)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]quinazoline IUPAC Name: 4-pyridin-2-ylsulfanyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline Traditional Name: 4-(2-pyridylthio)-2-[[4-(2-pyrimidyl)piperazino]methyl]quinazoline Formula: C22H21N7S MolecularWeight: 415.51404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)SC4=CC=CC=N4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)SC4=CC=CC=N4)C5=NC=CC=N5

InChI

InChI=1S/C22H21N7S/c1-2-7-18-17(6-1)21(30-20-8-3-4-9-23-20)27-19(26-18)16-28-12-14-29(15-13-28)22-24-10-5-11-25-22/h1-11H,12-16H2