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

Systemtic Name: (7S)-7-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: (7S)-7-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: (7S)-7-methyl-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: (7S)-7-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: [(7S)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]-[2-(morpholin-4-ium-4-ylmethyl)benzyl]amine Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=NC=NC(=C23)NCC4=CC=CC=C4C[NH+]5CCOCC5

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=NC=NC(=C23)NCC4=CC=CC=C4C[NH+]5CCOCC5

InChI

InChI=1S/C23H28N4OS/c1-16-6-7-19-20(12-16)29-23-21(19)22(25-15-26-23)24-13-17-4-2-3-5-18(17)14-27-8-10-28-11-9-27/h2-5,15-16H,6-14H2,1H3,(H,24,25,26)/p+1/t16-/m0/s1