3-methyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-8-(3-morpholin-4-ylpropylamino)-6-oxidanylidene-purin-2-olate

Systemtic Name: 3-methyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-8-(3-morpholin-4-ylpropylamino)-6-oxidanylidene-purin-2-olate Openeye Name: 3-methyl-8-(3-morpholinopropylamino)-6-oxo-7-[2-oxo-2-(p-tolyl)ethyl]purin-2-olate CAS Name: 3-methyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-[3-(4-morpholinyl)propylamino]-6-oxo-2-purinolate IUPAC Name: 3-methyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-(3-morpholin-4-ylpropylamino)-6-oxopurin-2-olate Traditional Name: 6-keto-7-[2-keto-2-(p-tolyl)ethyl]-3-methyl-8-(3-morpholinopropylamino)purin-2-olate Formula: C22H27N6O4- MolecularWeight: 439.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C3=C(N=C2NCCCN4CCOCC4)N(C(=NC3=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C3=C(N=C2NCCCN4CCOCC4)N(C(=NC3=O)[O-])C

InChI

InChI=1S/C22H28N6O4/c1-15-4-6-16(7-5-15)17(29)14-28-18-19(26(2)22(31)25-20(18)30)24-21(28)23-8-3-9-27-10-12-32-13-11-27/h4-7H,3,8-14H2,1-2H3,(H,23,24)(H,25,30,31)/p-1