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

Systemtic Name: 3-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl]-6-bromanyl-quinazolin-4-one Openeye Name: 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-bromo-quinazolin-4-one CAS Name: 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-bromo-4-quinazolinone IUPAC Name: 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-bromoquinazolin-4-one Traditional Name: 3-[(4-amino-6-anilino-s-triazin-2-yl)methyl]-6-bromo-quinazolin-4-one Formula: C18H14BrN7O MolecularWeight: 424.25406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C18H14BrN7O/c19-11-6-7-14-13(8-11)16(27)26(10-21-14)9-15-23-17(20)25-18(24-15)22-12-4-2-1-3-5-12/h1-8,10H,9H2,(H3,20,22,23,24,25)