(E)-1-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-(1-pyridin-2-yl-1H-phthalazin-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-(1-pyridin-2-yl-1H-phthalazin-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]-3-[1-(2-pyridyl)-1H-phthalazin-2-yl]prop-2-en-1-one CAS Name: (E)-1-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxyphenyl]-3-[1-(2-pyridinyl)-1H-phthalazin-2-yl]-2-propen-1-one IUPAC Name: (E)-1-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]-3-(1-pyridin-2-yl-1H-phthalazin-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]-3-[1-(2-pyridyl)-1H-phthalazin-2-yl]prop-2-en-1-one Formula: C29H27N7O3 MolecularWeight: 521.56978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C(=O)C=CN3C(C4=CC=CC=C4C=N3)C5=CC=CC=N5)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C(=O)/C=C/N3C(C4=CC=CC=C4C=N3)C5=CC=CC=N5)OC

InChI

InChI=1S/C29H27N7O3/c1-38-25-15-18(13-20-16-33-29(31)35-28(20)30)14-22(27(25)39-2)24(37)10-12-36-26(23-9-5-6-11-32-23)21-8-4-3-7-19(21)17-34-36/h3-12,14-17,26H,13H2,1-2H3,(H4,30,31,33,35)/b12-10+