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

Systemtic Name: 3-[2-cyanoethyl-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C27H28N8O2 MolecularWeight: 496.56362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N8O2/c28-13-7-15-33(16-8-14-29)26-25(35(36)37)27(31-21-30-26)34-19-17-32(18-20-34)24(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-6,9-12,21,24H,7-8,15-20H2