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

Systemtic Name: methyl 4-oxidanylidene-2-[[N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[N'-[[(2R)-tetrahydrofuran-2-yl]methyl]carbamimidoyl]sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 2-[[[amino-[[(2R)-2-oxolanyl]methylimino]methyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[[N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[N'-[[(2R)-tetrahydrofuran-2-yl]methyl]amidino]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC(=NCC3CCCO3)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC(=NC[C@H]3CCCO3)N

InChI

InChI=1S/C17H20N4O4S/c1-24-16(23)10-4-5-12-13(7-10)20-14(21-15(12)22)9-26-17(18)19-8-11-3-2-6-25-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,18,19)(H,20,21,22)/t11-/m1/s1