N6-(3-morpholin-4-ylpropyl)-5-nitro-N4-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-morpholin-4-ylpropyl)-5-nitro-N4-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N4-allyl-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-(4-morpholinyl)propyl]-5-nitro-N4-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 6-N-(3-morpholin-4-ylpropyl)-5-nitro-4-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H22N6O3 MolecularWeight: 322.36288

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=NC=N1)NCCCN2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C(=NC=N1)NCCCN2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H22N6O3/c1-2-4-15-13-12(20(21)22)14(18-11-17-13)16-5-3-6-19-7-9-23-10-8-19/h2,11H,1,3-10H2,(H2,15,16,17,18)