(E)-1-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-[1-[4-(2-ethoxyethoxy)phenyl]-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-[4-(2-ethoxyethoxy)phenyl]-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-[4-(2-ethoxyethoxy)phenyl]-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-[4-(2-ethoxyethoxy)phenyl]-1H-phthalazin-2-yl]-2-propen-1-one IUPAC Name: (E)-1-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]-3-[1-[4-(2-ethoxyethoxy)phenyl]-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-[4-(2-ethoxyethoxy)phenyl]-1H-phthalazin-2-yl]prop-2-en-1-one Formula: C34H36N6O5 MolecularWeight: 608.68684

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=C(C=C1)C2C3=CC=CC=C3C=NN2C=CC(=O)C4=CC(=CC(=C4OC)OC)CC5=CN=C(N=C5N)N

Isomeric SMILES

CCOCCOC1=CC=C(C=C1)C2C3=CC=CC=C3C=NN2/C=C/C(=O)C4=CC(=CC(=C4OC)OC)CC5=CN=C(N=C5N)N

InChI

InChI=1S/C34H36N6O5/c1-4-44-15-16-45-26-11-9-23(10-12-26)31-27-8-6-5-7-24(27)21-38-40(31)14-13-29(41)28-18-22(19-30(42-2)32(28)43-3)17-25-20-37-34(36)39-33(25)35/h5-14,18-21,31H,4,15-17H2,1-3H3,(H4,35,36,37,39)/b14-13+