(E)-3-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-(7-methyl-1-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enal

Systemtic Name: (E)-3-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-(7-methyl-1-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enal Openeye Name: (E)-3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]-3-[7-methyl-1-(2-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-enal CAS Name: (E)-3-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxyphenyl]-3-[7-methyl-1-(2-pyridinyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-propenal IUPAC Name: (E)-3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]-3-(7-methyl-1-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enal Traditional Name: (E)-3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]-3-[7-methyl-1-(2-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]acrolein Formula: C31H32N6O3 MolecularWeight: 536.62418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCN(C2C3=CC=CC=N3)C(=CC=O)C4=CC(=CC(=C4OC)OC)CC5=CN=C(N=C5N)N)C=C1

Isomeric SMILES

CC1=CC2=C(CCN(C2C3=CC=CC=N3)/C(=C/C=O)/C4=CC(=CC(=C4OC)OC)CC5=CN=C(N=C5N)N)C=C1

InChI

InChI=1S/C31H32N6O3/c1-19-7-8-21-9-12-37(28(23(21)14-19)25-6-4-5-11-34-25)26(10-13-38)24-16-20(17-27(39-2)29(24)40-3)15-22-18-35-31(33)36-30(22)32/h4-8,10-11,13-14,16-18,28H,9,12,15H2,1-3H3,(H4,32,33,35,36)/b26-10+