2-[2-(6-azanyl-7H-purin-8-yl)-2-oxidanylidene-ethyl]-6-bromanyl-3-(2-chlorophenyl)quinazolin-4-one

Systemtic Name: 2-[2-(6-azanyl-7H-purin-8-yl)-2-oxidanylidene-ethyl]-6-bromanyl-3-(2-chlorophenyl)quinazolin-4-one Openeye Name: 2-[2-(6-amino-7H-purin-8-yl)-2-oxo-ethyl]-6-bromo-3-(2-chlorophenyl)quinazolin-4-one CAS Name: 2-[2-(6-amino-7H-purin-8-yl)-2-oxoethyl]-6-bromo-3-(2-chlorophenyl)-4-quinazolinone IUPAC Name: 2-[2-(6-amino-7H-purin-8-yl)-2-oxoethyl]-6-bromo-3-(2-chlorophenyl)quinazolin-4-one Traditional Name: 2-[2-(6-amino-7H-purin-8-yl)-2-keto-ethyl]-6-bromo-3-(2-chlorophenyl)quinazolin-4-one Formula: C21H13BrClN7O2 MolecularWeight: 510.73062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)CC(=O)C4=NC5=C(N4)C(=NC=N5)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)CC(=O)C4=NC5=C(N4)C(=NC=N5)N)Cl

InChI

InChI=1S/C21H13BrClN7O2/c22-10-5-6-13-11(7-10)21(32)30(14-4-2-1-3-12(14)23)16(27-13)8-15(31)19-28-17-18(24)25-9-26-20(17)29-19/h1-7,9H,8H2,(H3,24,25,26,28,29)