5-nitro-6-piperidin-1-yl-N2-prop-2-enyl-pyrimidine-2,4-diamine

Systemtic Name: 5-nitro-6-piperidin-1-yl-N2-prop-2-enyl-pyrimidine-2,4-diamine Openeye Name: N2-allyl-5-nitro-6-(1-piperidyl)pyrimidine-2,4-diamine CAS Name: 5-nitro-6-(1-piperidinyl)-N2-prop-2-enylpyrimidine-2,4-diamine IUPAC Name: 5-nitro-6-piperidin-1-yl-2-N-prop-2-enylpyrimidine-2,4-diamine Traditional Name: allyl-(4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)amine Formula: C12H18N6O2 MolecularWeight: 278.31032

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCC2

Isomeric SMILES

C=CCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCC2

InChI

InChI=1S/C12H18N6O2/c1-2-6-14-12-15-10(13)9(18(19)20)11(16-12)17-7-4-3-5-8-17/h2H,1,3-8H2,(H3,13,14,15,16)