4-(1,4-diazepan-4-ium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-6-ethylthieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-6-ethylthieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine Formula: C13H19N4S+ MolecularWeight: 263.38176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CCC[NH2+]CC3

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CCC[NH2+]CC3

InChI

InChI=1S/C13H18N4S/c1-2-10-8-11-12(15-9-16-13(11)18-10)17-6-3-4-14-5-7-17/h8-9,14H,2-7H2,1H3/p+1