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

Systemtic Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine CAS Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine Formula: C12H17N4S+ MolecularWeight: 249.35518

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C3C=CSC3=NC=N2

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C3C=CSC3=NC=N2

InChI

InChI=1S/C12H16N4S/c1-15-4-2-5-16(7-6-15)11-10-3-8-17-12(10)14-9-13-11/h3,8-9H,2,4-7H2,1H3/p+1