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

Systemtic Name: 3-[2-cyanoethyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[5-nitro-6-(phenethylamino)-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amino]propionitrile Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N7O2/c19-9-4-12-24(13-5-10-20)18-16(25(26)27)17(22-14-23-18)21-11-8-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8,11-13H2,(H,21,22,23)