N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-(4-pyridylmethyl)piperazine-1-carboxamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-(pyridin-4-ylmethyl)-1-piperazinecarboxamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide Traditional Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-(4-pyridylmethyl)piperazine-1-carboxamide Formula: C27H28N8O MolecularWeight: 480.56422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC=NC=C3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC=NC=C3)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C27H28N8O/c1-20-4-5-23(17-25(20)33-26-30-12-8-24(32-26)22-3-2-9-29-18-22)31-27(36)35-15-13-34(14-16-35)19-21-6-10-28-11-7-21/h2-12,17-18H,13-16,19H2,1H3,(H,31,36)(H,30,32,33)