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

Systemtic Name: 4-(furan-2-ylmethylsulfanyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline Openeye Name: 4-(2-furylmethylsulfanyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline CAS Name: 4-(2-furanylmethylthio)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]quinazoline IUPAC Name: 4-(furan-2-ylmethylsulfanyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazoline Traditional Name: 4-(2-furfurylthio)-2-[[4-(2-pyrimidyl)piperazino]methyl]quinazoline Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)SCC4=CC=CO4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)SCC4=CC=CO4)C5=NC=CC=N5

InChI

InChI=1S/C22H22N6OS/c1-2-7-19-18(6-1)21(30-16-17-5-3-14-29-17)26-20(25-19)15-27-10-12-28(13-11-27)22-23-8-4-9-24-22/h1-9,14H,10-13,15-16H2