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

Systemtic Name: 3-[2-cyanoethyl-[6-[(3-methoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(3-methoxyanilino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(3-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-(3-methoxyanilino)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(m-anisidino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C17H17N7O3 MolecularWeight: 367.36198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N7O3/c1-27-14-6-2-5-13(11-14)22-16-15(24(25)26)17(21-12-20-16)23(9-3-7-18)10-4-8-19/h2,5-6,11-12H,3-4,9-10H2,1H3,(H,20,21,22)