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

Systemtic Name: 5-methyl-3-[3-(oxan-4-yloxy)phenyl]-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]-3-(3-tetrahydropyran-4-yloxyphenyl)quinazolin-4-one CAS Name: 5-methyl-3-[3-(4-oxanyloxy)phenyl]-2-[1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 5-methyl-3-[3-(oxan-4-yloxy)phenyl]-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]-3-(3-tetrahydropyran-4-yloxyphenyl)quinazolin-4-one Formula: C27H27N7O3 MolecularWeight: 497.54838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC(=CC=C3)OC4CCOCC4)C(C)NC5=NC=NC6=C5NC=N6

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC(=CC=C3)OC4CCOCC4)C(C)NC5=NC=NC6=C5NC=N6

InChI

InChI=1S/C27H27N7O3/c1-16-5-3-8-21-22(16)27(35)34(18-6-4-7-20(13-18)37-19-9-11-36-12-10-19)26(33-21)17(2)32-25-23-24(29-14-28-23)30-15-31-25/h3-8,13-15,17,19H,9-12H2,1-2H3,(H2,28,29,30,31,32)