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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-[1]benzothiolo[3,2-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)benzothiopheno[3,2-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-[1]benzothiolo[3,2-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-[1]benzothiolo[3,2-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)benzothiopheno[3,2-d]pyrimidine Formula: C15H17N4S+ MolecularWeight: 285.38728

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=NC=NC3=C2SC4=CC=CC=C43

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=NC=NC3=C2SC4=CC=CC=C43

InChI

InChI=1S/C15H16N4S/c1-2-5-12-11(4-1)13-14(20-12)15(18-10-17-13)19-8-3-6-16-7-9-19/h1-2,4-5,10,16H,3,6-9H2/p+1