2-azanyl-N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxy-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-azanyl-N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxy-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-amino-N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxy-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-amino-N-[3-(1-azepan-1-iumyl)propyl]-4-methoxy-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-amino-N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxythieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-amino-N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxy-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C17H26N5O2S+ MolecularWeight: 364.48564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(SC2=NC(=N1)N)C(=O)NCCC[NH+]3CCCCCC3

Isomeric SMILES

COC1=C2C=C(SC2=NC(=N1)N)C(=O)NCCC[NH+]3CCCCCC3

InChI

InChI=1S/C17H25N5O2S/c1-24-15-12-11-13(25-16(12)21-17(18)20-15)14(23)19-7-6-10-22-8-4-2-3-5-9-22/h11H,2-10H2,1H3,(H,19,23)(H2,18,20,21)/p+1