3-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C14H14N4O4S/c1-7-2-3-8(13(21)22)4-9(7)16-12(20)6-23-14-17-10(15)5-11(19)18-14/h2-5H,6H2,1H3,(H,16,20)(H,21,22)(H3,15,17,18,19)