(7R)-N-(3,4-dimethoxyphenyl)-7-methyl-2-(morpholin-4-ium-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: (7R)-N-(3,4-dimethoxyphenyl)-7-methyl-2-(morpholin-4-ium-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: (7R)-N-(3,4-dimethoxyphenyl)-7-methyl-2-(morpholin-4-ium-4-ylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: (7R)-N-(3,4-dimethoxyphenyl)-7-methyl-2-(4-morpholin-4-iumylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: (7R)-N-(3,4-dimethoxyphenyl)-7-methyl-2-(morpholin-4-ium-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: (3,4-dimethoxyphenyl)-[(7R)-7-methyl-2-(morpholin-4-ium-4-ylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amine Formula: C24H31N4O3S+ MolecularWeight: 455.59294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=NC(=NC(=C23)NC4=CC(=C(C=C4)OC)OC)C[NH+]5CCOCC5

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC3=NC(=NC(=C23)NC4=CC(=C(C=C4)OC)OC)C[NH+]5CCOCC5

InChI

InChI=1S/C24H30N4O3S/c1-15-4-6-17-20(12-15)32-24-22(17)23(25-16-5-7-18(29-2)19(13-16)30-3)26-21(27-24)14-28-8-10-31-11-9-28/h5,7,13,15H,4,6,8-12,14H2,1-3H3,(H,25,26,27)/p+1/t15-/m1/s1