methyl 4-quinazolin-4-ylsulfanylcyclohexane-1-carboxylate

Systemtic Name: methyl 4-quinazolin-4-ylsulfanylcyclohexane-1-carboxylate Openeye Name: methyl 4-quinazolin-4-ylsulfanylcyclohexanecarboxylate CAS Name: 4-(4-quinazolinylthio)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-quinazolin-4-ylsulfanylcyclohexane-1-carboxylate Traditional Name: 4-(quinazolin-4-ylthio)cyclohexanecarboxylic acid methyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)SC2=NC=NC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1CCC(CC1)SC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C16H18N2O2S/c1-20-16(19)11-6-8-12(9-7-11)21-15-13-4-2-3-5-14(13)17-10-18-15/h2-5,10-12H,6-9H2,1H3