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

Systemtic Name: 2-[(6-aminopurin-9-yl)methyl]-5-chloranyl-3-(2-phenylphenyl)quinazolin-4-one Openeye Name: 2-[(6-aminopurin-9-yl)methyl]-5-chloro-3-(2-phenylphenyl)quinazolin-4-one CAS Name: 2-[(6-aminopurin-9-yl)methyl]-5-chloro-3-(2-phenylphenyl)-4-quinazolinone IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-5-chloro-3-(2-phenylphenyl)quinazolin-4-one Traditional Name: 2-(adenin-9-ylmethyl)-5-chloro-3-(2-phenylphenyl)quinazolin-4-one Formula: C26H18ClN7O MolecularWeight: 479.92042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2N3C(=NC4=C(C3=O)C(=CC=C4)Cl)CN5C=NC6=C5N=CN=C6N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2N3C(=NC4=C(C3=O)C(=CC=C4)Cl)CN5C=NC6=C5N=CN=C6N

InChI

InChI=1S/C26H18ClN7O/c27-18-10-6-11-19-22(18)26(35)34(20-12-5-4-9-17(20)16-7-2-1-3-8-16)21(32-19)13-33-15-31-23-24(28)29-14-30-25(23)33/h1-12,14-15H,13H2,(H2,28,29,30)