5-(3,4-dimethylphenyl)-6-methyl-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(3,4-dimethylphenyl)-6-methyl-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3,4-dimethylphenyl)-6-methyl-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(3,4-dimethylphenyl)-6-methyl-N-(4-piperidin-1-iumyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(3,4-dimethylphenyl)-6-methyl-N-piperidin-1-ium-4-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]-piperidin-1-ium-4-yl-amine Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4CC[NH2+]CC4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4CC[NH2+]CC4)C)C

InChI

InChI=1S/C20H24N4S/c1-12-4-5-15(10-13(12)2)17-14(3)25-20-18(17)19(22-11-23-20)24-16-6-8-21-9-7-16/h4-5,10-11,16,21H,6-9H2,1-3H3,(H,22,23,24)/p+1