1-[2-methyl-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]-3-(4-pyrimidin-2-ylsulfanylphenyl)urea

Systemtic Name: 1-[2-methyl-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]-3-(4-pyrimidin-2-ylsulfanylphenyl)urea Openeye Name: 1-[2-methyl-6-[3-[4-(2-pyridyl)piperazin-1-yl]propoxy]phenyl]-3-(4-pyrimidin-2-ylsulfanylphenyl)urea CAS Name: 1-[2-methyl-6-[3-[4-(2-pyridinyl)-1-piperazinyl]propoxy]phenyl]-3-[4-(2-pyrimidinylthio)phenyl]urea IUPAC Name: 1-[2-methyl-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]-3-(4-pyrimidin-2-ylsulfanylphenyl)urea Traditional Name: 1-[2-methyl-6-[3-[4-(2-pyridyl)piperazino]propoxy]phenyl]-3-[4-(2-pyrimidylthio)phenyl]urea Formula: C30H33N7O2S MolecularWeight: 555.69372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCCN2CCN(CC2)C3=CC=CC=N3)NC(=O)NC4=CC=C(C=C4)SC5=NC=CC=N5

Isomeric SMILES

CC1=C(C(=CC=C1)OCCCN2CCN(CC2)C3=CC=CC=N3)NC(=O)NC4=CC=C(C=C4)SC5=NC=CC=N5

InChI

InChI=1S/C30H33N7O2S/c1-23-7-4-8-26(39-22-6-17-36-18-20-37(21-19-36)27-9-2-3-14-31-27)28(23)35-29(38)34-24-10-12-25(13-11-24)40-30-32-15-5-16-33-30/h2-5,7-16H,6,17-22H2,1H3,(H2,34,35,38)