6-methyl-4-oxidanylidene-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-oxidanylidene-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-oxo-2-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-oxo-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-oxo-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-keto-6-methyl-2-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1H-pyrimidine-5-carboxylic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C2=CC3=C(S2)CCCC3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C2=CC3=C(S2)CCCC3)C(=O)O

InChI

InChI=1S/C14H14N2O3S/c1-7-11(14(18)19)13(17)16-12(15-7)10-6-8-4-2-3-5-9(8)20-10/h6H,2-5H2,1H3,(H,18,19)(H,15,16,17)