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

Systemtic Name: 1-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3-(4-pyrimidin-2-ylsulfanylphenyl)urea Openeye Name: 1-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3-(4-pyrimidin-2-ylsulfanylphenyl)urea CAS Name: 1-[2-methyl-6-[3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-3-[4-(2-pyrimidinylthio)phenyl]urea IUPAC Name: 1-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3-(4-pyrimidin-2-ylsulfanylphenyl)urea Traditional Name: 1-[2-methyl-6-[3-(4-phenylpiperazino)propoxy]phenyl]-3-[4-(2-pyrimidylthio)phenyl]urea Formula: C31H34N6O2S MolecularWeight: 554.70566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N6O2S/c1-24-8-5-11-28(39-23-7-18-36-19-21-37(22-20-36)26-9-3-2-4-10-26)29(24)35-30(38)34-25-12-14-27(15-13-25)40-31-32-16-6-17-33-31/h2-6,8-17H,7,18-23H2,1H3,(H2,34,35,38)