5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-isoquinolin-1-yl-2,3-dimethoxy-4-phenyl-3-prop-2-enoyl-4H-pyridine-2-carboxamide

Systemtic Name: 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-isoquinolin-1-yl-2,3-dimethoxy-4-phenyl-3-prop-2-enoyl-4H-pyridine-2-carboxamide Openeye Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-1-(1-isoquinolyl)-2,3-dimethoxy-4-phenyl-3-prop-2-enoyl-4H-pyridine-2-carboxamide CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)methyl]-1-(1-isoquinolinyl)-2,3-dimethoxy-3-(1-oxoprop-2-enyl)-4-phenyl-4H-pyridine-2-carboxamide IUPAC Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-1-isoquinolin-1-yl-2,3-dimethoxy-4-phenyl-3-prop-2-enoyl-4H-pyridine-2-carboxamide Traditional Name: 3-acryloyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-1-(1-isoquinolyl)-2,3-dimethoxy-4-phenyl-4H-pyridine-2-carboxamide Formula: C31H31N7O4 MolecularWeight: 565.62234

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(C(=CN(C1(C(=O)N)OC)C2=NC=CC3=CC=CC=C32)CC4=CN=C(N=C4N)N)C5=CC=CC=C5)C(=O)C=C

Isomeric SMILES

COC1(C(C(=CN(C1(C(=O)N)OC)C2=NC=CC3=CC=CC=C32)CC4=CN=C(N=C4N)N)C5=CC=CC=C5)C(=O)C=C

InChI

InChI=1S/C31H31N7O4/c1-4-24(39)30(41-2)25(20-11-6-5-7-12-20)22(16-21-17-36-29(34)37-26(21)32)18-38(31(30,42-3)28(33)40)27-23-13-9-8-10-19(23)14-15-35-27/h4-15,17-18,25H,1,16H2,2-3H3,(H2,33,40)(H4,32,34,36,37)