4-(azepan-1-yl)-6-(2-nitrophenyl)sulfanyl-5-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(azepan-1-yl)-6-(2-nitrophenyl)sulfanyl-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-6-(2-nitrophenyl)sulfanyl-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-6-[(2-nitrophenyl)thio]-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-6-(2-nitrophenyl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-6-[(2-nitrophenyl)thio]-5-phenyl-thieno[2,3-d]pyrimidine Formula: C24H22N4O2S2 MolecularWeight: 462.58708

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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-])C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=C3C(=C(SC3=NC=N2)SC4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O2S2/c29-28(30)18-12-6-7-13-19(18)31-24-20(17-10-4-3-5-11-17)21-22(25-16-26-23(21)32-24)27-14-8-1-2-9-15-27/h3-7,10-13,16H,1-2,8-9,14-15H2