(E)-1-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-[1-(3-hydroxyphenyl)-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-hydroxyphenyl)-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-hydroxyphenyl)-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-hydroxyphenyl)-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-hydroxyphenyl)-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-hydroxyphenyl)-1H-phthalazin-2-yl]prop-2-en-1-one Formula: C30H28N6O4 MolecularWeight: 536.58112

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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)O)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)O)OC

InChI

InChI=1S/C30H28N6O4/c1-39-26-14-18(12-21-16-33-30(32)35-29(21)31)13-24(28(26)40-2)25(38)10-11-36-27(19-7-5-8-22(37)15-19)23-9-4-3-6-20(23)17-34-36/h3-11,13-17,27,37H,12H2,1-2H3,(H4,31,32,33,35)/b11-10+