(E)-1-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-[1-(3-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-1H-phthalazin-2-yl]prop-2-en-1-one Formula: C31H30N6O4 MolecularWeight: 550.6077

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C3=CC=CC=C3C=NN2C=CC(=O)C4=CC(=CC(=C4OC)OC)CC5=CN=C(N=C5N)N

Isomeric SMILES

COC1=CC=CC(=C1)C2C3=CC=CC=C3C=NN2/C=C/C(=O)C4=CC(=CC(=C4OC)OC)CC5=CN=C(N=C5N)N

InChI

InChI=1S/C31H30N6O4/c1-39-23-9-6-8-20(16-23)28-24-10-5-4-7-21(24)18-35-37(28)12-11-26(38)25-14-19(15-27(40-2)29(25)41-3)13-22-17-34-31(33)36-30(22)32/h4-12,14-18,28H,13H2,1-3H3,(H4,32,33,34,36)/b12-11+