N-(4-methylsulfonyl-2-nitro-phenyl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-N'-(5-phenyl-4-thieno[2,3-d]pyrimidinyl)ethane-1,2-diamine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine Traditional Name: 2-(4-mesyl-2-nitro-anilino)ethyl-(5-phenylthieno[2,3-d]pyrimidin-4-yl)amine Formula: C21H19N5O4S2 MolecularWeight: 469.53666

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S2/c1-32(29,30)15-7-8-17(18(11-15)26(27)28)22-9-10-23-20-19-16(14-5-3-2-4-6-14)12-31-21(19)25-13-24-20/h2-8,11-13,22H,9-10H2,1H3,(H,23,24,25)