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

Systemtic Name: 2-[(6-aminopurin-9-yl)methyl]-6-chloranyl-3-(2-chlorophenyl)quinazolin-4-one Openeye Name: 2-[(6-aminopurin-9-yl)methyl]-6-chloro-3-(2-chlorophenyl)quinazolin-4-one CAS Name: 2-[(6-aminopurin-9-yl)methyl]-6-chloro-3-(2-chlorophenyl)-4-quinazolinone IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-6-chloro-3-(2-chlorophenyl)quinazolin-4-one Traditional Name: 2-(adenin-9-ylmethyl)-6-chloro-3-(2-chlorophenyl)quinazolin-4-one Formula: C20H13Cl2N7O MolecularWeight: 438.26952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Cl)CN4C=NC5=C4N=CN=C5N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Cl)CN4C=NC5=C4N=CN=C5N)Cl

InChI

InChI=1S/C20H13Cl2N7O/c21-11-5-6-14-12(7-11)20(30)29(15-4-2-1-3-13(15)22)16(27-14)8-28-10-26-17-18(23)24-9-25-19(17)28/h1-7,9-10H,8H2,(H2,23,24,25)