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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC4=C(C=C3)OCO4)C[NH+]5CCCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC4=C(C=C3)OCO4)C[NH+]5CCCC5)C

InChI

InChI=1S/C20H22N4O2S/c1-12-13(2)27-20-18(12)19(22-17(23-20)10-24-7-3-4-8-24)21-14-5-6-15-16(9-14)26-11-25-15/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,21,22,23)/p+1