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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-methylimidazol-1-yl)-6-nitro-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-methylimidazol-1-yl)-6-nitro-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-methyl-1-imidazolyl)-6-nitro-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-methylimidazol-1-yl)-6-nitrothieno[2,3-d]pyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2-methylimidazol-1-yl)-6-nitro-thieno[2,3-d]pyrimidin-4-yl]amine Formula: C19H16N6O4S MolecularWeight: 424.43314

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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)OCCO5

Isomeric SMILES

CC1=NC=CN1C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C19H16N6O4S/c1-11-20-4-5-24(11)19-22-17(13-9-16(25(26)27)30-18(13)23-19)21-10-12-2-3-14-15(8-12)29-7-6-28-14/h2-5,8-9H,6-7,10H2,1H3,(H,21,22,23)