ethyl (3S)-1-[2-(4-azanylquinazolin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(4-azanylquinazolin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-aminoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[(4-amino-2-quinazolinyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-aminoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[(4-aminoquinazolin-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C18H22N4O3S/c1-2-25-17(24)12-6-5-9-22(10-12)15(23)11-26-18-20-14-8-4-3-7-13(14)16(19)21-18/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,19,20,21)/t12-/m0/s1