ethyl 4-[4-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)NC=C3C=C(C=CC3=O)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)NC=C3C=C(C=CC3=O)Br)C

InChI

InChI=1S/C21H20BrN3O4/c1-3-29-20(27)18-12(2)24-21(28)25-19(18)13-4-7-16(8-5-13)23-11-14-10-15(22)6-9-17(14)26/h4-11,19,23H,3H2,1-2H3,(H2,24,25,28)