2-methyl-N-piperidin-1-ium-4-yl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 2-methyl-N-piperidin-1-ium-4-yl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-isopropylphenyl)-2-methyl-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-methyl-N-(4-piperidin-1-iumyl)-5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 2-methyl-N-piperidin-1-ium-4-yl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (2-methyl-5-p-cumenyl-thieno[2,3-d]pyrimidin-4-yl)-piperidin-1-ium-4-yl-amine Formula: C21H27N4S+ MolecularWeight: 367.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)C(C)C)NC4CC[NH2+]CC4

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)C(C)C)NC4CC[NH2+]CC4

InChI

InChI=1S/C21H26N4S/c1-13(2)15-4-6-16(7-5-15)18-12-26-21-19(18)20(23-14(3)24-21)25-17-8-10-22-11-9-17/h4-7,12-13,17,22H,8-11H2,1-3H3,(H,23,24,25)/p+1