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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine Formula: C11H15N4S+ MolecularWeight: 235.3286

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=C3C=CSC3=NC=N2

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=C3C=CSC3=NC=N2

InChI

InChI=1S/C11H14N4S/c1-3-12-4-6-15(5-1)10-9-2-7-16-11(9)14-8-13-10/h2,7-8,12H,1,3-6H2/p+1