5-nitro-6-phenoxy-N-prop-2-enyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-6-phenoxy-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-5-nitro-6-phenoxy-pyrimidin-4-amine CAS Name: 5-nitro-6-phenoxy-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 5-nitro-6-phenoxy-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-(5-nitro-6-phenoxy-pyrimidin-4-yl)amine Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=NC=N1)OC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C(=NC=N1)OC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3/c1-2-8-14-12-11(17(18)19)13(16-9-15-12)20-10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,14,15,16)