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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CN4C=NC5=C4N=CN=C5N

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CN4C=NC5=C4N=CN=C5N

InChI

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