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

Systemtic Name: 2-[[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl-methyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4,6-diamino-s-triazin-2-yl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one Formula: C14H16N8O MolecularWeight: 312.32984

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)CC3=NC(=NC(=N3)N)N

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)CC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C14H16N8O/c1-22(7-11-19-13(15)21-14(16)20-11)6-10-17-9-5-3-2-4-8(9)12(23)18-10/h2-5H,6-7H2,1H3,(H,17,18,23)(H4,15,16,19,20,21)