7-[(4-azanylquinazolin-2-yl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-azanylquinazolin-2-yl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-aminoquinazolin-2-yl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-amino-2-quinazolinyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-aminoquinazolin-2-yl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(4-aminoquinazolin-2-yl)methyl]-8-chloro-1,3-dimethyl-xanthine Formula: C16H14ClN7O2 MolecularWeight: 371.78106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C16H14ClN7O2/c1-22-13-11(14(25)23(2)16(22)26)24(15(17)21-13)7-10-19-9-6-4-3-5-8(9)12(18)20-10/h3-6H,7H2,1-2H3,(H2,18,19,20)