(Z)-3-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-3-(1-thiophen-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-thiophen-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-(2-thienyl)-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-thiophen-2-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-thiophen-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-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]acrolein Formula: C29H29N5O3S MolecularWeight: 527.63726

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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=CS5)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)/C(=C/C=O)/N3CCC4=CC=CC=C4C3C5=CC=CS5)OC

InChI

InChI=1S/C29H29N5O3S/c1-36-24-16-18(14-20-17-32-29(31)33-28(20)30)15-22(27(24)37-2)23(10-12-35)34-11-9-19-6-3-4-7-21(19)26(34)25-8-5-13-38-25/h3-8,10,12-13,15-17,26H,9,11,14H2,1-2H3,(H4,30,31,32,33)/b23-10-