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

Systemtic Name: 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-propan-2-ylphenyl)quinazolin-4-one Openeye Name: 2-[(6-aminopurin-9-yl)methyl]-3-(2-isopropylphenyl)-5-methyl-quinazolin-4-one CAS Name: 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-propan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-propan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-(adenin-9-ylmethyl)-5-methyl-3-o-cumenyl-quinazolin-4-one Formula: C24H23N7O MolecularWeight: 425.48572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C(C)C)CN4C=NC5=C4N=CN=C5N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C(C)C)CN4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C24H23N7O/c1-14(2)16-8-4-5-10-18(16)31-19(29-17-9-6-7-15(3)20(17)24(31)32)11-30-13-28-21-22(25)26-12-27-23(21)30/h4-10,12-14H,11H2,1-3H3,(H2,25,26,27)