6-chloranyl-6-nitro-N-[(3-nitrophenyl)methyl]-2H-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 6-chloranyl-6-nitro-N-[(3-nitrophenyl)methyl]-2H-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 6-chloro-6-nitro-N-[(3-nitrophenyl)methyl]-2H-thieno[2,3-d]pyrimidin-4-amine CAS Name: 6-chloro-6-nitro-N-[(3-nitrophenyl)methyl]-2H-thieno[2,3-d]pyrimidin-4-amine IUPAC Name: 6-chloro-6-nitro-N-[(3-nitrophenyl)methyl]-2H-thieno[2,3-d]pyrimidin-4-amine Traditional Name: (6-chloro-6-nitro-2H-thieno[2,3-d]pyrimidin-4-yl)-(3-nitrobenzyl)amine Formula: C13H10ClN5O4S MolecularWeight: 367.7676

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(C2=CC(SC2=N1)([N+](=O)[O-])Cl)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1N=C(C2=CC(SC2=N1)([N+](=O)[O-])Cl)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10ClN5O4S/c14-13(19(22)23)5-10-11(16-7-17-12(10)24-13)15-6-8-2-1-3-9(4-8)18(20)21/h1-5H,6-7H2,(H,15,16)