2-[2-(1,3-benzothiazol-2-ylamino)-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-ylamino)-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[2-(1,3-benzothiazol-2-ylamino)-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-ylamino)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=NC3=CC=CC=C3S2)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=NC3=CC=CC=C3S2)CC(=O)O

InChI

InChI=1S/C14H12N4O3S/c1-7-8(6-11(19)20)12(21)17-13(15-7)18-14-16-9-4-2-3-5-10(9)22-14/h2-5H,6H2,1H3,(H,19,20)(H2,15,16,17,18,21)