4-(1,4-diazepan-4-ium-1-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidine Formula: C13H19N4S+ MolecularWeight: 263.38176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC[NH2+]CC3)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC[NH2+]CC3)C

InChI

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