methyl 2-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[methylamino(methylimino)methyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(N,N'-dimethylamidino)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)SCC1=NC(=O)C2=C(N1)C=C(C=C2)C(=O)OC

Isomeric SMILES

CNC(=NC)SCC1=NC(=O)C2=C(N1)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H16N4O3S/c1-15-14(16-2)22-7-11-17-10-6-8(13(20)21-3)4-5-9(10)12(19)18-11/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18,19)