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

Systemtic Name: methyl 2-[(N'-ethylcarbamimidoyl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(N'-ethylcarbamimidoyl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[amino(ethylimino)methyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(N'-ethylcarbamimidoyl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(N'-ethylamidino)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:

CCN=C(N)SCC1=NC(=O)C2=C(N1)C=C(C=C2)C(=O)OC

Isomeric SMILES

CCN=C(N)SCC1=NC(=O)C2=C(N1)C=C(C=C2)C(=O)OC

InChI

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