N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(2S)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC(C3=CC=CC=C3OC)[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC[C@H](C3=CC=CC=C3OC)[NH+]4CCCC4)C

InChI

InChI=1S/C21H26N4OS/c1-14-15(2)27-21-19(14)20(23-13-24-21)22-12-17(25-10-6-7-11-25)16-8-4-5-9-18(16)26-3/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3,(H,22,23,24)/p+1/t17-/m1/s1