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

Systemtic Name: 2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-thieno[2,3-d]pyrimidine Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4S/c1-14-20-18(23-10-6-9-22(2)11-12-23)17-16(13-24-19(17)21-14)15-7-4-3-5-8-15/h3-5,7-8,13H,6,9-12H2,1-2H3/p+1