6-[2-azanyl-5-(4-chlorophenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[2-azanyl-5-(4-chlorophenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(4-chlorophenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-(2-methylallyloxy)cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(4-chlorophenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(4-chlorophenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(4-chlorophenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-(2-methylallyloxy)cyclohexa-2,4-dien-1-one Formula: C21H20ClN3O2 MolecularWeight: 381.8554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC(=CC2=O)OCC(=C)C)N=C(N1)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=C2C=CC(=CC2=O)OCC(=C)C)N=C(N1)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O2/c1-12(2)11-27-16-8-9-17(18(26)10-16)20-19(13(3)24-21(23)25-20)14-4-6-15(22)7-5-14/h4-10H,1,11H2,2-3H3,(H3,23,24,25)