N-butyl-5-nitro-6-pyridin-3-yloxy-pyrimidin-4-amine

Systemtic Name: N-butyl-5-nitro-6-pyridin-3-yloxy-pyrimidin-4-amine Openeye Name: N-butyl-5-nitro-6-(3-pyridyloxy)pyrimidin-4-amine CAS Name: N-butyl-5-nitro-6-(3-pyridinyloxy)-4-pyrimidinamine IUPAC Name: N-butyl-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine Traditional Name: butyl-[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]amine Formula: C13H15N5O3 MolecularWeight: 289.2899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)OC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)OC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3/c1-2-3-7-15-12-11(18(19)20)13(17-9-16-12)21-10-5-4-6-14-8-10/h4-6,8-9H,2-3,7H2,1H3,(H,15,16,17)