N6-(1,3-benzodioxol-5-ylmethyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C20H16N6O5S MolecularWeight: 452.44324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O5S/c1-29-12-3-4-13-16(7-12)32-20(24-13)25-19-17(26(27)28)18(22-9-23-19)21-8-11-2-5-14-15(6-11)31-10-30-14/h2-7,9H,8,10H2,1H3,(H2,21,22,23,24,25)