5,6-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-(4-methyl-1-piperazin-4-iumyl)-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine Formula: C20H25N4S2+ MolecularWeight: 385.5693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)C)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)C)CSC4=CC=CC=C4)C

InChI

InChI=1S/C20H24N4S2/c1-14-15(2)26-20-18(14)19(24-11-9-23(3)10-12-24)21-17(22-20)13-25-16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3/p+1