N-(2,5-dimethoxyphenyl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(2,5-dimethoxyphenyl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-(2,5-dimethoxyphenyl)-2-[(phenylthio)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(2,5-dimethoxyphenyl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: (2,5-dimethoxyphenyl)-[2-[(phenylthio)methyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amine Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=C3C4=C(CCCC4)SC3=NC(=N2)CSC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=C3C4=C(CCCC4)SC3=NC(=N2)CSC5=CC=CC=C5

InChI

InChI=1S/C25H25N3O2S2/c1-29-16-12-13-20(30-2)19(14-16)26-24-23-18-10-6-7-11-21(18)32-25(23)28-22(27-24)15-31-17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11,15H2,1-2H3,(H,26,27,28)