2-(2-methylimidazol-1-yl)-6-nitro-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 2-(2-methylimidazol-1-yl)-6-nitro-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-(2-methylimidazol-1-yl)-6-nitro-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-(2-methyl-1-imidazolyl)-6-nitro-N-[(3-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 2-(2-methylimidazol-1-yl)-6-nitro-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [2-(2-methylimidazol-1-yl)-6-nitro-thieno[2,3-d]pyrimidin-4-yl]-(3-nitrobenzyl)amine Formula: C17H13N7O4S MolecularWeight: 411.39462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CN1C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O4S/c1-10-18-5-6-22(10)17-20-15(13-8-14(24(27)28)29-16(13)21-17)19-9-11-3-2-4-12(7-11)23(25)26/h2-8H,9H2,1H3,(H,19,20,21)