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

Systemtic Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-methoxyphenyl)-5-methyl-quinazolin-4-one Openeye Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-methoxyphenyl)-5-methyl-quinazolin-4-one CAS Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-methoxyphenyl)-5-methyl-4-quinazolinone IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-methoxyphenyl)-5-methylquinazolin-4-one Traditional Name: 2-(adenin-9-ylmethyl)-3-(2-methoxyphenyl)-5-methyl-quinazolin-4-one Formula: C22H19N7O2 MolecularWeight: 413.43196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3OC)CN4C=NC5=C4N=CN=C5N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3OC)CN4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C22H19N7O2/c1-13-6-5-7-14-18(13)22(30)29(15-8-3-4-9-16(15)31-2)17(27-14)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)