N-(1,3-benzodioxol-5-yl)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4/c1-11-3-2-6-21(8-11)17-15(22(23)24)16(18-9-19-17)20-12-4-5-13-14(7-12)26-10-25-13/h4-5,7,9,11H,2-3,6,8,10H2,1H3,(H,18,19,20)