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

Systemtic Name: methyl 4-oxidanylidene-2-[[N'-[(1R)-1-phenylethyl]carbamimidoyl]sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[N'-[(1R)-1-phenylethyl]carbamimidoyl]sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 2-[[[amino-[(1R)-1-phenylethyl]iminomethyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[[N'-[(1R)-1-phenylethyl]carbamimidoyl]sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[N'-[(1R)-1-phenylethyl]amidino]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H20N4O3S/c1-12(13-6-4-3-5-7-13)22-20(21)28-11-17-23-16-10-14(19(26)27-2)8-9-15(16)18(25)24-17/h3-10,12H,11H2,1-2H3,(H2,21,22)(H,23,24,25)/t12-/m1/s1