4-[6-methyl-5-[[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid

Systemtic Name: 4-[6-methyl-5-[[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid Openeye Name: 4-[6-methyl-5-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid CAS Name: 4-[6-methyl-5-[oxo-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]methyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid IUPAC Name: 4-[6-methyl-5-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid Traditional Name: 4-[5-[[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(=O)O)C(=O)NNC=C3C=CC(=O)C=C3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(=O)O)C(=O)NNC=C3C=CC(=O)C=C3

InChI

InChI=1S/C20H18N4O4S/c1-11-16(18(26)24-21-10-12-2-8-15(25)9-3-12)17(23-20(29)22-11)13-4-6-14(7-5-13)19(27)28/h2-10,17,21H,1H3,(H,24,26)(H,27,28)(H2,22,23,29)