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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCC[NH+](CC3)C)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCC[NH+](CC3)C)CSC4=CC=CC=C4)C

InChI

InChI=1S/C21H26N4S2/c1-15-16(2)27-21-19(15)20(25-11-7-10-24(3)12-13-25)22-18(23-21)14-26-17-8-5-4-6-9-17/h4-6,8-9H,7,10-14H2,1-3H3/p+1