N-[4-methyl-3-[[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]amino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide

Systemtic Name: N-[4-methyl-3-[[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]amino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide Openeye Name: N-[4-methyl-3-[[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]amino]phenyl]-2-morpholino-pyridine-4-carboxamide CAS Name: N-[4-methyl-3-[[6-(4-methyl-1,4-diazepan-1-yl)-4-pyrimidinyl]amino]phenyl]-2-(4-morpholinyl)-4-pyridinecarboxamide IUPAC Name: N-[4-methyl-3-[[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide Traditional Name: N-[4-methyl-3-[[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]amino]phenyl]-2-morpholino-isonicotinamide Formula: C27H34N8O2 MolecularWeight: 502.61126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)NC4=NC=NC(=C4)N5CCCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)NC4=NC=NC(=C4)N5CCCN(CC5)C

InChI

InChI=1S/C27H34N8O2/c1-20-4-5-22(31-27(36)21-6-7-28-25(16-21)35-12-14-37-15-13-35)17-23(20)32-24-18-26(30-19-29-24)34-9-3-8-33(2)10-11-34/h4-7,16-19H,3,8-15H2,1-2H3,(H,31,36)(H,29,30,32)