2-[4-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]phenyl]benzaldehyde

Systemtic Name: 2-[4-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]phenyl]benzaldehyde Openeye Name: 2-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]benzaldehyde CAS Name: 2-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]benzaldehyde IUPAC Name: 2-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]benzaldehyde Traditional Name: 2-[4-(4,6-diamino-s-triazin-2-yl)phenyl]benzaldehyde Formula: C16H13N5O MolecularWeight: 291.30732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=O)C2=CC=C(C=C2)C3=NC(=NC(=N3)N)N

Isomeric SMILES

C1=CC=C(C(=C1)C=O)C2=CC=C(C=C2)C3=NC(=NC(=N3)N)N

InChI

InChI=1S/C16H13N5O/c17-15-19-14(20-16(18)21-15)11-7-5-10(6-8-11)13-4-2-1-3-12(13)9-22/h1-9H,(H4,17,18,19,20,21)