tert-butyl 4-(6-chloranylquinazolin-4-yl)sulfanylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranylquinazolin-4-yl)sulfanylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-(6-chloroquinazolin-4-yl)sulfanylpiperidine-1-carboxylate CAS Name: 4-[(6-chloro-4-quinazolinyl)thio]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloroquinazolin-4-yl)sulfanylpiperidine-1-carboxylate Traditional Name: 4-[(6-chloroquinazolin-4-yl)thio]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)SC2=NC=NC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)SC2=NC=NC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN3O2S/c1-18(2,3)24-17(23)22-8-6-13(7-9-22)25-16-14-10-12(19)4-5-15(14)20-11-21-16/h4-5,10-11,13H,6-9H2,1-3H3