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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3-nitrophenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3-nitrophenyl)thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3-nitrophenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3-nitrophenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3-nitrophenyl)thieno[2,3-d]pyrimidine Formula: C17H18N5O2S+ MolecularWeight: 356.42212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=C3C(=CSC3=NC=N2)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=C3C(=CSC3=NC=N2)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O2S/c23-22(24)13-4-1-3-12(9-13)14-10-25-17-15(14)16(19-11-20-17)21-7-2-5-18-6-8-21/h1,3-4,9-11,18H,2,5-8H2/p+1