N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylimidazol-1-yl)-6-nitro-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylimidazol-1-yl)-6-nitro-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylimidazol-1-yl)-6-nitro-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-1-imidazolyl)-6-nitro-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylimidazol-1-yl)-6-nitrothieno[2,3-d]pyrimidin-4-amine Traditional Name: [2-(2-methylimidazol-1-yl)-6-nitro-thieno[2,3-d]pyrimidin-4-yl]-piperonyl-amine Formula: C18H14N6O4S MolecularWeight: 410.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC=CN1C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H14N6O4S/c1-10-19-4-5-23(10)18-21-16(12-7-15(24(25)26)29-17(12)22-18)20-8-11-2-3-13-14(6-11)28-9-27-13/h2-7H,8-9H2,1H3,(H,20,21,22)