1-[2-(4-methylpiperazin-1-yl)ethyl]-3-[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea

Systemtic Name: 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea Openeye Name: 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-[3-[[5-(3-thienyl)pyrimidin-2-yl]amino]phenyl]urea CAS Name: 1-[2-(4-methyl-1-piperazinyl)ethyl]-3-[3-[[5-(3-thiophenyl)-2-pyrimidinyl]amino]phenyl]urea IUPAC Name: 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]urea Traditional Name: 1-[2-(4-methylpiperazino)ethyl]-3-[3-[[5-(3-thienyl)pyrimidin-2-yl]amino]phenyl]urea Formula: C22H27N7OS MolecularWeight: 437.56108

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCNC(=O)NC2=CC=CC(=C2)NC3=NC=C(C=N3)C4=CSC=C4

Isomeric SMILES

CN1CCN(CC1)CCNC(=O)NC2=CC=CC(=C2)NC3=NC=C(C=N3)C4=CSC=C4

InChI

InChI=1S/C22H27N7OS/c1-28-8-10-29(11-9-28)7-6-23-22(30)27-20-4-2-3-19(13-20)26-21-24-14-18(15-25-21)17-5-12-31-16-17/h2-5,12-16H,6-11H2,1H3,(H2,23,27,30)(H,24,25,26)