methyl 2-[[5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate CAS Name: 2-[[[5-methyl-4-[2-(1-piperidin-1-iumyl)ethylamino]-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate Traditional Name: 2-[[5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid methyl ester Formula: C18H26N5O3S+ MolecularWeight: 392.49574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC[NH+]3CCCCC3)C(=O)NCC(=O)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC[NH+]3CCCCC3)C(=O)NCC(=O)OC

InChI

InChI=1S/C18H25N5O3S/c1-12-14-16(19-6-9-23-7-4-3-5-8-23)21-11-22-18(14)27-15(12)17(25)20-10-13(24)26-2/h11H,3-10H2,1-2H3,(H,20,25)(H,19,21,22)/p+1