5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(2-nitropyridin-3-yl)oxy-thieno[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(2-nitropyridin-3-yl)oxy-thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-[(2-nitro-3-pyridyl)oxy]thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-[(2-nitro-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(2-nitropyridin-3-yl)oxythieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-[(2-nitro-3-pyridyl)oxy]thieno[2,3-d]pyrimidine Formula: C20H24N5O3S+ MolecularWeight: 414.50126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)OC4=C(N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)OC4=C(N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O3S/c1-12-6-9-24(10-7-12)11-16-22-19(17-13(2)14(3)29-20(17)23-16)28-15-5-4-8-21-18(15)25(26)27/h4-5,8,12H,6-7,9-11H2,1-3H3/p+1