(phenylmethyl) 4-quinazolin-4-ylsulfanylpiperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-quinazolin-4-ylsulfanylpiperidine-1-carboxylate Openeye Name: benzyl 4-quinazolin-4-ylsulfanylpiperidine-1-carboxylate CAS Name: 4-(4-quinazolinylthio)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-quinazolin-4-ylsulfanylpiperidine-1-carboxylate Traditional Name: 4-(quinazolin-4-ylthio)piperidine-1-carboxylic acid benzyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=NC=NC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1SC2=NC=NC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c25-21(26-14-16-6-2-1-3-7-16)24-12-10-17(11-13-24)27-20-18-8-4-5-9-19(18)22-15-23-20/h1-9,15,17H,10-14H2