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

Systemtic Name: 1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-(2-pyrrolidin-1-ylethyl)urea Openeye Name: 1-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3-(2-pyrrolidin-1-ylethyl)urea CAS Name: 1-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-[2-(1-pyrrolidinyl)ethyl]urea IUPAC Name: 1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-(2-pyrrolidin-1-ylethyl)urea Traditional Name: 1-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3-(2-pyrrolidinoethyl)urea Formula: C23H27N7O MolecularWeight: 417.50678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCCN2CCCC2)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCCN2CCCC2)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C23H27N7O/c1-17-6-7-19(27-23(31)26-11-14-30-12-2-3-13-30)15-21(17)29-22-25-10-8-20(28-22)18-5-4-9-24-16-18/h4-10,15-16H,2-3,11-14H2,1H3,(H,25,28,29)(H2,26,27,31)