(Z)-3-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-(1-pyrazin-2-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-pyrazin-2-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-pyrazin-2-yl-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-(2-pyrazinyl)-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-pyrazin-2-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-pyrazin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acrolein Formula: C29H29N7O3 MolecularWeight: 523.58566

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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=NC=CN=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H29N7O3/c1-38-25-15-18(13-20-16-34-29(31)35-28(20)30)14-22(27(25)39-2)24(8-12-37)36-11-7-19-5-3-4-6-21(19)26(36)23-17-32-9-10-33-23/h3-6,8-10,12,14-17,26H,7,11,13H2,1-2H3,(H4,30,31,34,35)/b24-8-