(E)-1-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-(1-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-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-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-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-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-phenyl-1H-phthalazin-2-yl)prop-2-en-1-one Formula: C30H28N6O3 MolecularWeight: 520.58172

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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=C5)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=C5)OC

InChI

InChI=1S/C30H28N6O3/c1-38-26-16-19(14-22-17-33-30(32)35-29(22)31)15-24(28(26)39-2)25(37)12-13-36-27(20-8-4-3-5-9-20)23-11-7-6-10-21(23)18-34-36/h3-13,15-18,27H,14H2,1-2H3,(H4,31,32,33,35)/b13-12+