N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N4-allyl-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-5-nitro-N4-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-5-nitro-4-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H17N7O2 MolecularWeight: 303.31978

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=NC=N1)NCCCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C(=NC=N1)NCCCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N7O2/c1-2-4-15-12-11(20(21)22)13(18-9-17-12)16-5-3-7-19-8-6-14-10-19/h2,6,8-10H,1,3-5,7H2,(H2,15,16,17,18)