(E)-1-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-methoxy-2-oxidanyl-phenyl]-3-[1-[4-(hydroxymethyl)phenyl]-1H-phthalazin-2-yl]prop-2-en-1-one

Systemtic Name: (E)-1-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-methoxy-2-oxidanyl-phenyl]-3-[1-[4-(hydroxymethyl)phenyl]-1H-phthalazin-2-yl]prop-2-en-1-one Openeye Name: (E)-1-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-hydroxy-3-methoxy-phenyl]-3-[1-[4-(hydroxymethyl)phenyl]-1H-phthalazin-2-yl]prop-2-en-1-one CAS Name: (E)-1-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2-hydroxy-3-methoxyphenyl]-3-[1-[4-(hydroxymethyl)phenyl]-1H-phthalazin-2-yl]-2-propen-1-one IUPAC Name: (E)-1-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-hydroxy-3-methoxyphenyl]-3-[1-[4-(hydroxymethyl)phenyl]-1H-phthalazin-2-yl]prop-2-en-1-one Traditional Name: (E)-1-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-hydroxy-3-methoxy-phenyl]-3-[1-(4-methylolphenyl)-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=C(C=C5)CO)O

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=C(C=C5)CO)O

InChI

InChI=1S/C30H28N6O4/c1-40-26-14-19(12-22-15-33-30(32)35-29(22)31)13-24(28(26)39)25(38)10-11-36-27(20-8-6-18(17-37)7-9-20)23-5-3-2-4-21(23)16-34-36/h2-11,13-16,27,37,39H,12,17H2,1H3,(H4,31,32,33,35)/b11-10+