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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-5,6-dimethyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine Formula: C21H27N4S2+ MolecularWeight: 399.59588

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)CSC4=CC=CC=C4)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)CSC4=CC=CC=C4)C)C

InChI

InChI=1S/C21H26N4S2/c1-4-24-10-12-25(13-11-24)20-19-15(2)16(3)27-21(19)23-18(22-20)14-26-17-8-6-5-7-9-17/h5-9H,4,10-14H2,1-3H3/p+1