3-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one

Systemtic Name: 3-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one Openeye Name: 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]quinazolin-4-one CAS Name: 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-quinazolinone IUPAC Name: 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]quinazolin-4-one Traditional Name: 3-[(4,6-diamino-s-triazin-2-yl)methyl]quinazolin-4-one Formula: C12H11N7O MolecularWeight: 269.26204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=NC(=NC(=N3)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C12H11N7O/c13-11-16-9(17-12(14)18-11)5-19-6-15-8-4-2-1-3-7(8)10(19)20/h1-4,6H,5H2,(H4,13,14,16,17,18)