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

Systemtic Name: 3-[[6-[bis(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[[6-[bis(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C24H23N7O2 MolecularWeight: 441.48512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=NC=N3)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=NC=N3)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C24H23N7O2/c25-13-7-15-29(16-8-14-26)23-22(31(32)33)24(28-19-27-23)30(17-20-9-3-1-4-10-20)18-21-11-5-2-6-12-21/h1-6,9-12,19H,7-8,15-18H2