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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N7O2/c1-23(13-15-7-3-2-4-8-15)17-16(25(26)27)18(22-14-21-17)24(11-5-9-19)12-6-10-20/h2-4,7-8,14H,5-6,11-13H2,1H3