(phenylmethyl) 4-(6-chloranylquinazolin-4-yl)sulfanylpiperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(6-chloranylquinazolin-4-yl)sulfanylpiperidine-1-carboxylate Openeye Name: benzyl 4-(6-chloroquinazolin-4-yl)sulfanylpiperidine-1-carboxylate CAS Name: 4-[(6-chloro-4-quinazolinyl)thio]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(6-chloroquinazolin-4-yl)sulfanylpiperidine-1-carboxylate Traditional Name: 4-[(6-chloroquinazolin-4-yl)thio]piperidine-1-carboxylic acid benzyl ester Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=NC=NC3=C2C=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1SC2=NC=NC3=C2C=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3O2S/c22-16-6-7-19-18(12-16)20(24-14-23-19)28-17-8-10-25(11-9-17)21(26)27-13-15-4-2-1-3-5-15/h1-7,12,14,17H,8-11,13H2