1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-(3-oxidanylpropyl)urea

Systemtic Name: 1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-(3-oxidanylpropyl)urea Openeye Name: 1-(3-hydroxypropyl)-3-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]urea CAS Name: 1-(3-hydroxypropyl)-3-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]urea IUPAC Name: 1-(3-hydroxypropyl)-3-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]urea Traditional Name: 1-(3-hydroxypropyl)-3-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]urea Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCCCO)NC2=NC=CC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCCCO)NC2=NC=CC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C20H22N6O2/c1-14-5-6-16(24-20(28)23-9-3-11-27)12-18(14)26-19-22-10-7-17(25-19)15-4-2-8-21-13-15/h2,4-8,10,12-13,27H,3,9,11H2,1H3,(H,22,25,26)(H2,23,24,28)