(E)-1-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-[1-(phenylsulfonylmethyl)-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-(phenylsulfonylmethyl)-1H-phthalazin-2-yl]prop-2-en-1-one Openeye Name: (E)-3-[1-(benzenesulfonylmethyl)-1H-phthalazin-2-yl]-1-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]prop-2-en-1-one CAS Name: (E)-3-[1-(benzenesulfonylmethyl)-1H-phthalazin-2-yl]-1-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxyphenyl]-2-propen-1-one IUPAC Name: (E)-3-[1-(benzenesulfonylmethyl)-1H-phthalazin-2-yl]-1-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]prop-2-en-1-one Traditional Name: (E)-3-[1-(besylmethyl)-1H-phthalazin-2-yl]-1-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]prop-2-en-1-one Formula: C31H30N6O5S MolecularWeight: 598.6721

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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)CS(=O)(=O)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)CS(=O)(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C31H30N6O5S/c1-41-28-16-20(14-22-17-34-31(33)36-30(22)32)15-25(29(28)42-2)27(38)12-13-37-26(24-11-7-6-8-21(24)18-35-37)19-43(39,40)23-9-4-3-5-10-23/h3-13,15-18,26H,14,19H2,1-2H3,(H4,32,33,34,36)/b13-12+