3-[2-cyanoethyl-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amino]propionitrile Formula: C20H22N8O2 MolecularWeight: 406.44108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N8O2/c21-8-4-10-26(11-5-9-22)19-18(28(29)30)20(24-16-23-19)27-14-12-25(13-15-27)17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,10-15H2