(Z)-3-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-(1-pyridin-4-yl-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-pyridin-4-yl-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-(4-pyridyl)-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-pyridin-4-yl-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-pyridin-4-yl-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-(4-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]acrolein Formula: C30H30N6O3 MolecularWeight: 522.5976

Click to see the large picture

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=NC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H30N6O3/c1-38-26-17-19(15-22-18-34-30(32)35-29(22)31)16-24(28(26)39-2)25(10-14-37)36-13-9-20-5-3-4-6-23(20)27(36)21-7-11-33-12-8-21/h3-8,10-12,14,16-18,27H,9,13,15H2,1-2H3,(H4,31,32,34,35)/b25-10-