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

Systemtic Name: 3-(3-hydroxyphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 3-(3-hydroxyphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one CAS Name: 3-(3-hydroxyphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 3-(3-hydroxyphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 3-(3-hydroxyphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]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=C3)O)C(C)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

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

InChI

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