4-[bis(azanyl)methylidene]-2-[6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-2-(4-methylphenyl)pyrimidin-4-yl]oxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[bis(azanyl)methylidene]-2-[6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-2-(4-methylphenyl)pyrimidin-4-yl]oxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-(diaminomethylene)-2-[6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-2-(p-tolyl)pyrimidin-4-yl]oxy-cyclohexa-2,5-dien-1-one CAS Name: 4-(diaminomethylidene)-2-[[6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-2-(4-methylphenyl)-4-pyrimidinyl]oxy]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(diaminomethylidene)-2-[6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-2-(4-methylphenyl)pyrimidin-4-yl]oxycyclohexa-2,5-dien-1-one Traditional Name: 4-(diaminomethylene)-2-[6-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-2-(p-tolyl)pyrimidin-4-yl]oxy-cyclohexa-2,5-dien-1-one Formula: C28H26N6O3 MolecularWeight: 494.54444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CC(=N2)OC3=CC(=C(N)N)C=CC3=O)OC4=CC=CC(=C4)C5=NCCN5C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CC(=N2)OC3=CC(=C(N)N)C=CC3=O)OC4=CC=CC(=C4)C5=NCCN5C

InChI

InChI=1S/C28H26N6O3/c1-17-6-8-18(9-7-17)27-32-24(36-21-5-3-4-20(14-21)28-31-12-13-34(28)2)16-25(33-27)37-23-15-19(26(29)30)10-11-22(23)35/h3-11,14-16H,12-13,29-30H2,1-2H3