5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-3-phenyl-1-prop-2-enoyl-4H-isoquinoline-1-carbonitrile

Systemtic Name: 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-3-phenyl-1-prop-2-enoyl-4H-isoquinoline-1-carbonitrile Openeye Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-3-phenyl-1-prop-2-enoyl-4H-isoquinoline-1-carbonitrile CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxy-1-(1-oxoprop-2-enyl)-3-phenyl-4H-isoquinoline-1-carbonitrile IUPAC Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-3-phenyl-1-prop-2-enoyl-4H-isoquinoline-1-carbonitrile Traditional Name: 1-acryloyl-5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-3-phenyl-4H-isoquinoline-1-carbonitrile Formula: C26H26N6O3 MolecularWeight: 470.52304

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CC2=C(C=CC=C2CC3=CN=C(N=C3N)N)C(N1OC)(C#N)C(=O)C=C)C4=CC=CC=C4

Isomeric SMILES

COC1(CC2=C(C=CC=C2CC3=CN=C(N=C3N)N)C(N1OC)(C#N)C(=O)C=C)C4=CC=CC=C4

InChI

InChI=1S/C26H26N6O3/c1-4-22(33)25(16-27)21-12-8-9-17(13-18-15-30-24(29)31-23(18)28)20(21)14-26(34-2,32(25)35-3)19-10-6-5-7-11-19/h4-12,15H,1,13-14H2,2-3H3,(H4,28,29,30,31)