(E)-3-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-(1-ethyl-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-(1-ethyl-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-(1-ethyl-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-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-propenal IUPAC Name: (E)-3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]-3-(1-ethyl-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-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acrolein Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC=CC=C2CCN1C(=CC=O)C3=CC(=CC(=C3OC)OC)CC4=CN=C(N=C4N)N

Isomeric SMILES

CCC1C2=CC=CC=C2CCN1/C(=C/C=O)/C3=CC(=CC(=C3OC)OC)CC4=CN=C(N=C4N)N

InChI

InChI=1S/C27H31N5O3/c1-4-22-20-8-6-5-7-18(20)9-11-32(22)23(10-12-33)21-14-17(15-24(34-2)25(21)35-3)13-19-16-30-27(29)31-26(19)28/h5-8,10,12,14-16,22H,4,9,11,13H2,1-3H3,(H4,28,29,30,31)/b23-10+