butyl 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)benzoate hydrochloride

Systemtic Name: butyl 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)benzoate hydrochloride Openeye Name: butyl 4-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylamino)benzoate hydrochloride CAS Name: 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)benzoic acid butyl ester hydrochloride IUPAC Name: butyl 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)benzoate hydrochloride Traditional Name: 4-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylamino)benzoic acid butyl ester hydrochloride Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=C3C4=C(CCCC4)SC3=NC=N2.Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=C3C4=C(CCCC4)SC3=NC=N2.Cl

InChI

InChI=1S/C21H23N3O2S.ClH/c1-2-3-12-26-21(25)14-8-10-15(11-9-14)24-19-18-16-6-4-5-7-17(16)27-20(18)23-13-22-19;/h8-11,13H,2-7,12H2,1H3,(H,22,23,24);1H