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

Systemtic Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-(2-pyrazinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (3-nitrobenzyl)-(6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C17H11N7O4S MolecularWeight: 409.37874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C3C=C(SC3=NC(=N2)C4=NC=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C3C=C(SC3=NC(=N2)C4=NC=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N7O4S/c25-23(26)11-3-1-2-10(6-11)8-20-15-12-7-14(24(27)28)29-17(12)22-16(21-15)13-9-18-4-5-19-13/h1-7,9H,8H2,(H,20,21,22)