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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N7O2/c1-13-6-5-9-15-17(13)22(31)29(14-7-3-2-4-8-14)21(28-15)16(10-30)27-20-18-19(24-11-23-18)25-12-26-20/h2-9,11-12,16,30H,10H2,1H3,(H2,23,24,25,26,27)