3-(2,6-dimethylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one

Systemtic Name: 3-(2,6-dimethylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 3-(2,6-dimethylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one CAS Name: 3-(2,6-dimethylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 3-(2,6-dimethylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 3-(2,6-dimethylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]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=C(C=CC=C3C)C)C(C)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=C(C=CC=C3C)C)C(C)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C24H23N7O/c1-13-7-6-10-17-18(13)24(32)31(20-14(2)8-5-9-15(20)3)23(30-17)16(4)29-22-19-21(26-11-25-19)27-12-28-22/h5-12,16H,1-4H3,(H2,25,26,27,28,29)