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

Systemtic Name: 3-(3-ethanoylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 3-(3-acetylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one CAS Name: 3-(3-acetylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 3-(3-acetylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 3-(3-acetylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Formula: C24H21N7O2 MolecularWeight: 439.46924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N7O2/c1-13-6-4-9-18-19(13)24(33)31(17-8-5-7-16(10-17)15(3)32)23(30-18)14(2)29-22-20-21(26-11-25-20)27-12-28-22/h4-12,14H,1-3H3,(H2,25,26,27,28,29)