4-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]benzaldehyde

Systemtic Name: 4-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]benzaldehyde Openeye Name: 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]benzaldehyde CAS Name: 4-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxyphenyl]benzaldehyde IUPAC Name: 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]benzaldehyde Traditional Name: 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]benzaldehyde Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=CC=C(C=C3)C=O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=CC=C(C=C3)C=O)OC

InChI

InChI=1S/C20H20N4O3/c1-26-17-9-13(7-15-10-23-20(22)24-19(15)21)8-16(18(17)27-2)14-5-3-12(11-25)4-6-14/h3-6,8-11H,7H2,1-2H3,(H4,21,22,23,24)