6-aminocarbonyl-1-[2-[methyl-(phenylmethyl)amino]ethyl]-2-sulfanylidene-pyrimidine-5-carboxylic acid

Systemtic Name: 6-aminocarbonyl-1-[2-[methyl-(phenylmethyl)amino]ethyl]-2-sulfanylidene-pyrimidine-5-carboxylic acid Openeye Name: 1-[2-[benzyl(methyl)amino]ethyl]-6-carbamoyl-2-thioxo-pyrimidine-5-carboxylic acid CAS Name: 6-carbamoyl-1-[2-[methyl-(phenylmethyl)amino]ethyl]-2-sulfanylidene-5-pyrimidinecarboxylic acid IUPAC Name: 1-[2-[benzyl(methyl)amino]ethyl]-6-carbamoyl-2-sulfanylidenepyrimidine-5-carboxylic acid Traditional Name: 1-[2-[benzyl(methyl)amino]ethyl]-6-carbamoyl-2-thioxo-pyrimidine-5-carboxylic acid Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C(=C(C=NC1=S)C(=O)O)C(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CN(CCN1C(=C(C=NC1=S)C(=O)O)C(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C16H18N4O3S/c1-19(10-11-5-3-2-4-6-11)7-8-20-13(14(17)21)12(15(22)23)9-18-16(20)24/h2-6,9H,7-8,10H2,1H3,(H2,17,21)(H,22,23)