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

Systemtic Name: N-(1H-indazol-6-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1H-indazol-6-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1H-indazol-6-yl)-5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1H-indazol-6-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-(1H-indazol-6-yl)amine Formula: C20H23N6S+ MolecularWeight: 379.50182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC4=C(C=C3)C=NN4)C[NH+]5CCCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC4=C(C=C3)C=NN4)C[NH+]5CCCC5)C

InChI

InChI=1S/C20H22N6S/c1-12-13(2)27-20-18(12)19(23-17(24-20)11-26-7-3-4-8-26)22-15-6-5-14-10-21-25-16(14)9-15/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,21,25)(H,22,23,24)/p+1