N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]-piperonyl-amine Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4/c27-26(28)19-20(22-11-14-7-8-17-18(10-14)30-13-29-17)23-12-24-21(19)25-9-3-5-15-4-1-2-6-16(15)25/h1-2,4,6-8,10,12H,3,5,9,11,13H2,(H,22,23,24)