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

Systemtic Name: methyl 2-[(N'-tert-butylcarbamimidoyl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(N'-tert-butylcarbamimidoyl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[amino(tert-butylimino)methyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(N'-tert-butylcarbamimidoyl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(N'-tert-butylamidino)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S/c1-16(2,3)20-15(17)24-8-12-18-11-7-9(14(22)23-4)5-6-10(11)13(21)19-12/h5-7H,8H2,1-4H3,(H2,17,20)(H,18,19,21)