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

Systemtic Name: 5-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 5-methyl-3-[3-(morpholinomethyl)phenyl]-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one CAS Name: 5-methyl-3-[3-(4-morpholinylmethyl)phenyl]-2-[1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 5-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 5-methyl-3-[3-(morpholinomethyl)phenyl]-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Formula: C27H28N8O2 MolecularWeight: 496.56362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC(=C3)CN4CCOCC4)C(C)NC5=NC=NC6=C5NC=N6

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC(=C3)CN4CCOCC4)C(C)NC5=NC=NC6=C5NC=N6

InChI

InChI=1S/C27H28N8O2/c1-17-5-3-8-21-22(17)27(36)35(20-7-4-6-19(13-20)14-34-9-11-37-12-10-34)26(33-21)18(2)32-25-23-24(29-15-28-23)30-16-31-25/h3-8,13,15-16,18H,9-12,14H2,1-2H3,(H2,28,29,30,31,32)