8-(2,6-dimethylphenyl)-4-(4-fluoranyl-2-methyl-phenyl)-2-(2H-1,2,3,4-tetrazol-5-ylamino)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one

Systemtic Name: 8-(2,6-dimethylphenyl)-4-(4-fluoranyl-2-methyl-phenyl)-2-(2H-1,2,3,4-tetrazol-5-ylamino)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one Openeye Name: 8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methyl-phenyl)-2-(2H-tetrazol-5-ylamino)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one CAS Name: 8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2H-tetrazol-5-ylamino)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one IUPAC Name: 8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2H-tetrazol-5-ylamino)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one Traditional Name: 8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methyl-phenyl)-2-(2H-tetrazol-5-ylamino)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one Formula: C22H20FN9O MolecularWeight: 445.452303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C3=NC(=NC(=C3CNC2=O)C4=C(C=C(C=C4)F)C)NC5=NNN=N5

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C3=NC(=NC(=C3CNC2=O)C4=C(C=C(C=C4)F)C)NC5=NNN=N5

InChI

InChI=1S/C22H20FN9O/c1-11-5-4-6-12(2)18(11)32-19-16(10-24-22(32)33)17(15-8-7-14(23)9-13(15)3)25-20(26-19)27-21-28-30-31-29-21/h4-9H,10H2,1-3H3,(H,24,33)(H2,25,26,27,28,29,30,31)