methyl 4-[6-nitro-4-[(3-nitrophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]benzoate

Systemtic Name: methyl 4-[6-nitro-4-[(3-nitrophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]benzoate Openeye Name: methyl 4-[6-nitro-4-[(3-nitrophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]benzoate CAS Name: 4-[6-nitro-4-[(3-nitrophenyl)methylamino]-2-thieno[2,3-d]pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-nitro-4-[(3-nitrophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]benzoate Traditional Name: 4-[6-nitro-4-[(3-nitrobenzyl)amino]thieno[2,3-d]pyrimidin-2-yl]benzoic acid methyl ester Formula: C21H15N5O6S MolecularWeight: 465.4387

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O6S/c1-32-21(27)14-7-5-13(6-8-14)18-23-19(16-10-17(26(30)31)33-20(16)24-18)22-11-12-3-2-4-15(9-12)25(28)29/h2-10H,11H2,1H3,(H,22,23,24)