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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=C(C=C(C=C2)C=O)CC3=CN=C(N=C3N)N

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=C(C=C(C=C2)C=O)CC3=CN=C(N=C3N)N

InChI

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