3-[2-cyanoethyl-[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[[6-(allylamino)-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[5-nitro-6-(prop-2-enylamino)-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[[6-(allylamino)-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C13H15N7O2 MolecularWeight: 301.3039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N7O2/c1-2-7-16-12-11(20(21)22)13(18-10-17-12)19(8-3-5-14)9-4-6-15/h2,10H,1,3-4,7-9H2,(H,16,17,18)