3-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-diethoxy-phenyl]benzaldehyde

Systemtic Name: 3-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-diethoxy-phenyl]benzaldehyde Openeye Name: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxy-phenyl]benzaldehyde CAS Name: 3-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-diethoxyphenyl]benzaldehyde IUPAC Name: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxyphenyl]benzaldehyde Traditional Name: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxy-phenyl]benzaldehyde Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC(=CC=C2)C=O)OCC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC(=CC=C2)C=O)OCC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C22H24N4O3/c1-3-28-18-10-15(9-17-12-25-22(24)26-21(17)23)11-19(29-4-2)20(18)16-7-5-6-14(8-16)13-27/h5-8,10-13H,3-4,9H2,1-2H3,(H4,23,24,25,26)