(Z)-3-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enal

Systemtic Name: (Z)-3-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enal Openeye Name: (Z)-3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]-3-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enal CAS Name: (Z)-3-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxyphenyl]-3-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-propenal IUPAC Name: (Z)-3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]-3-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enal Traditional Name: (Z)-3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]-3-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)acrolein Formula: C31H31N5O3 MolecularWeight: 521.60954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C(=CC=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)/C(=C/C=O)/N3CCC4=CC=CC=C4C3C5=CC=CC=C5)OC

InChI

InChI=1S/C31H31N5O3/c1-38-27-18-20(16-23-19-34-31(33)35-30(23)32)17-25(29(27)39-2)26(13-15-37)36-14-12-21-8-6-7-11-24(21)28(36)22-9-4-3-5-10-22/h3-11,13,15,17-19,28H,12,14,16H2,1-2H3,(H4,32,33,34,35)/b26-13-