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

Systemtic Name: 5-methyl-3-(3-morpholin-4-ylphenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 5-methyl-3-(3-morpholinophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one CAS Name: 5-methyl-3-[3-(4-morpholinyl)phenyl]-2-[1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 5-methyl-3-(3-morpholin-4-ylphenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 5-methyl-3-(3-morpholinophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Formula: C26H26N8O2 MolecularWeight: 482.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC(=CC=C3)N4CCOCC4)C(C)NC5=NC=NC6=C5NC=N6

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC(=CC=C3)N4CCOCC4)C(C)NC5=NC=NC6=C5NC=N6

InChI

InChI=1S/C26H26N8O2/c1-16-5-3-8-20-21(16)26(35)34(19-7-4-6-18(13-19)33-9-11-36-12-10-33)25(32-20)17(2)31-24-22-23(28-14-27-22)29-15-30-24/h3-8,13-15,17H,9-12H2,1-2H3,(H2,27,28,29,30,31)