(E)-1-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-[1-(2-methylpyridin-4-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-(2-methylpyridin-4-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-methyl-4-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-methyl-4-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-(2-methylpyridin-4-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-methyl-4-pyridyl)-1H-phthalazin-2-yl]prop-2-en-1-one Formula: C30H29N7O3 MolecularWeight: 535.59636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2C3=CC=CC=C3C=NN2C=CC(=O)C4=CC(=CC(=C4OC)OC)CC5=CN=C(N=C5N)N

Isomeric SMILES

CC1=NC=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/C30H29N7O3/c1-18-12-20(8-10-33-18)27-23-7-5-4-6-21(23)17-35-37(27)11-9-25(38)24-14-19(15-26(39-2)28(24)40-3)13-22-16-34-30(32)36-29(22)31/h4-12,14-17,27H,13H2,1-3H3,(H4,31,32,34,36)/b11-9+