2-[(6-aminopurin-9-yl)methyl]-3-(2-chlorophenyl)-5-methyl-quinazolin-4-one

Systemtic Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-chlorophenyl)-5-methyl-quinazolin-4-one Openeye Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-chlorophenyl)-5-methyl-quinazolin-4-one CAS Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-chlorophenyl)-5-methyl-4-quinazolinone IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-chlorophenyl)-5-methylquinazolin-4-one Traditional Name: 2-(adenin-9-ylmethyl)-3-(2-chlorophenyl)-5-methyl-quinazolin-4-one Formula: C21H16ClN7O MolecularWeight: 417.85104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3Cl)CN4C=NC5=C4N=CN=C5N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3Cl)CN4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C21H16ClN7O/c1-12-5-4-7-14-17(12)21(30)29(15-8-3-2-6-13(15)22)16(27-14)9-28-11-26-18-19(23)24-10-25-20(18)28/h2-8,10-11H,9H2,1H3,(H2,23,24,25)