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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methylthieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methylthieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methyl-thieno[2,3-d]pyrimidine Formula: C12H17N4S+ MolecularWeight: 249.35518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N=CN=C2S1)N3CCC[NH2+]CC3

Isomeric SMILES

CC1=CC2=C(N=CN=C2S1)N3CCC[NH2+]CC3

InChI

InChI=1S/C12H16N4S/c1-9-7-10-11(14-8-15-12(10)17-9)16-5-2-3-13-4-6-16/h7-8,13H,2-6H2,1H3/p+1