5,6-dimethyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C

InChI

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