N-[4-[(4-chlorophenyl)methoxy]phenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine hydrochloride

Systemtic Name: N-[4-[(4-chlorophenyl)methoxy]phenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine hydrochloride Openeye Name: N-[4-[(4-chlorophenyl)methoxy]phenyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine hydrochloride CAS Name: N-[4-[(4-chlorophenyl)methoxy]phenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine hydrochloride IUPAC Name: N-[4-[(4-chlorophenyl)methoxy]phenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine hydrochloride Traditional Name: [4-(4-chlorobenzyl)oxyphenyl]-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amine hydrochloride Formula: C23H21Cl2N3OS MolecularWeight: 458.40334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=CN=C3S2)NC4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl.Cl

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=CN=C3S2)NC4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl.Cl

InChI

InChI=1S/C23H20ClN3OS.ClH/c24-16-7-5-15(6-8-16)13-28-18-11-9-17(10-12-18)27-22-21-19-3-1-2-4-20(19)29-23(21)26-14-25-22;/h5-12,14H,1-4,13H2,(H,25,26,27);1H