4-(4-phenylpiperazin-1-yl)-6-propan-2-ylsulfanyl-pyrimidine

Systemtic Name: 4-(4-phenylpiperazin-1-yl)-6-propan-2-ylsulfanyl-pyrimidine Openeye Name: 4-isopropylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-(4-phenyl-1-piperazinyl)-6-(propan-2-ylthio)pyrimidine IUPAC Name: 4-(4-phenylpiperazin-1-yl)-6-propan-2-ylsulfanylpyrimidine Traditional Name: 4-(isopropylthio)-6-(4-phenylpiperazino)pyrimidine Formula: C17H22N4S MolecularWeight: 314.44838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC=NC(=C1)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)SC1=NC=NC(=C1)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4S/c1-14(2)22-17-12-16(18-13-19-17)21-10-8-20(9-11-21)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3