(E)-1-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-[1-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-1H-phthalazin-2-yl]-2-propen-1-one IUPAC Name: (E)-1-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]-3-[1-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-1H-phthalazin-2-yl]prop-2-en-1-one Formula: C33H34N6O6 MolecularWeight: 610.65966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3=CC=CC=C3C=NN2C=CC(=O)C4=CC(=CC(=C4OC)OC)CC5=CN=C(N=C5N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C3=CC=CC=C3C=NN2/C=C/C(=O)C4=CC(=CC(=C4OC)OC)CC5=CN=C(N=C5N)N

InChI

InChI=1S/C33H34N6O6/c1-41-26-14-19(12-22-17-36-33(35)38-32(22)34)13-24(30(26)44-4)25(40)10-11-39-29(23-9-7-6-8-20(23)18-37-39)21-15-27(42-2)31(45-5)28(16-21)43-3/h6-11,13-18,29H,12H2,1-5H3,(H4,34,35,36,38)/b11-10+