2-[[[5-(4-methoxyphenyl)-7-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]amino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[[5-(4-methoxyphenyl)-7-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]amino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[[[5-(4-methoxyphenyl)-7-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]amino]methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[[5-(4-methoxyphenyl)-7-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]amino]methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[[[5-(4-methoxyphenyl)-7-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]amino]methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[[[5-(4-methoxyphenyl)-7-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]amino]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2C(N=C3N=CNN3C2C4=CC=CC=C4)C5=CC=C(C=C5)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2C(N=C3N=CNN3C2C4=CC=CC=C4)C5=CC=C(C=C5)OC)C(=O)C1)C

InChI

InChI=1S/C27H29N5O3/c1-27(2)13-21(33)20(22(34)14-27)15-28-24-23(17-9-11-19(35-3)12-10-17)31-26-29-16-30-32(26)25(24)18-7-5-4-6-8-18/h4-12,15-16,23-25,28H,13-14H2,1-3H3,(H,29,30,31)