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

Systemtic Name: methyl 2-[[N'-(2-methoxyethyl)carbamimidoyl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[N'-(2-methoxyethyl)carbamimidoyl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[amino(2-methoxyethylimino)methyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[N'-(2-methoxyethyl)carbamimidoyl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[N'-(2-methoxyethyl)amidino]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O4S/c1-22-6-5-17-15(16)24-8-12-18-11-7-9(14(21)23-2)3-4-10(11)13(20)19-12/h3-4,7H,5-6,8H2,1-2H3,(H2,16,17)(H,18,19,20)