3-[2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[6-amino-1-(4-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid Formula: C19H15ClN4O4S MolecularWeight: 430.8648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N)C(=O)O

InChI

InChI=1S/C19H15ClN4O4S/c20-12-4-6-14(7-5-12)24-15(21)9-16(25)23-19(24)29-10-17(26)22-13-3-1-2-11(8-13)18(27)28/h1-9H,10,21H2,(H,22,26)(H,27,28)