4-(azepan-1-yl)-6-(2-nitrophenyl)sulfanyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(azepan-1-yl)-6-(2-nitrophenyl)sulfanyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-6-(2-nitrophenyl)sulfanyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-6-[(2-nitrophenyl)thio]thieno[2,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-6-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-6-[(2-nitrophenyl)thio]thieno[2,3-d]pyrimidine Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C3C=C(SC3=NC=N2)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C3C=C(SC3=NC=N2)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O2S2/c23-22(24)14-7-3-4-8-15(14)25-16-11-13-17(19-12-20-18(13)26-16)21-9-5-1-2-6-10-21/h3-4,7-8,11-12H,1-2,5-6,9-10H2