2-[(6-aminopurin-9-yl)methyl]-3-(2-chlorophenyl)-6,7-dimethoxy-quinazolin-4-one

Systemtic Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-chlorophenyl)-6,7-dimethoxy-quinazolin-4-one Openeye Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-chlorophenyl)-6,7-dimethoxy-quinazolin-4-one CAS Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-chlorophenyl)-6,7-dimethoxy-4-quinazolinone IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-chlorophenyl)-6,7-dimethoxyquinazolin-4-one Traditional Name: 2-(adenin-9-ylmethyl)-3-(2-chlorophenyl)-6,7-dimethoxy-quinazolin-4-one Formula: C22H18ClN7O3 MolecularWeight: 463.87642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CN3C=NC4=C3N=CN=C4N)C5=CC=CC=C5Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CN3C=NC4=C3N=CN=C4N)C5=CC=CC=C5Cl)OC

InChI

InChI=1S/C22H18ClN7O3/c1-32-16-7-12-14(8-17(16)33-2)28-18(30(22(12)31)15-6-4-3-5-13(15)23)9-29-11-27-19-20(24)25-10-26-21(19)29/h3-8,10-11H,9H2,1-2H3,(H2,24,25,26)