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

Systemtic Name: 2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-(2-thienyl)thieno[2,3-d]pyrimidine CAS Name: 2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine IUPAC Name: 2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine Traditional Name: 2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-(2-thienyl)thieno[2,3-d]pyrimidine Formula: C17H21N4S2+ MolecularWeight: 345.50544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)N4CCC[NH+](CC4)C

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)N4CCC[NH+](CC4)C

InChI

InChI=1S/C17H20N4S2/c1-12-18-16(21-7-4-6-20(2)8-9-21)15-13(11-23-17(15)19-12)14-5-3-10-22-14/h3,5,10-11H,4,6-9H2,1-2H3/p+1