4-[(Z)-3-(4-chlorophenyl)sulfanyl-2-pyrrolidin-1-yl-prop-1-enyl]-2-methyl-5-nitro-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[(Z)-3-(4-chlorophenyl)sulfanyl-2-pyrrolidin-1-yl-prop-1-enyl]-2-methyl-5-nitro-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[(Z)-3-(4-chlorophenyl)sulfanyl-2-pyrrolidin-1-yl-prop-1-enyl]-2-methyl-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 4-[(Z)-3-[(4-chlorophenyl)thio]-2-(1-pyrrolidinyl)prop-1-enyl]-2-methyl-5-nitro-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[(Z)-3-(4-chlorophenyl)sulfanyl-2-pyrrolidin-1-ylprop-1-enyl]-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine Traditional Name: 4-[(Z)-3-[(4-chlorophenyl)thio]-2-pyrrolidino-prop-1-enyl]-2-methyl-5-nitro-6-piperidino-pyrimidine Formula: C23H28ClN5O2S MolecularWeight: 474.01872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)N2CCCCC2)[N+](=O)[O-])C=C(CSC3=CC=C(C=C3)Cl)N4CCCC4

Isomeric SMILES

CC1=NC(=C(C(=N1)N2CCCCC2)[N+](=O)[O-])/C=C(/CSC3=CC=C(C=C3)Cl)\N4CCCC4

InChI

InChI=1S/C23H28ClN5O2S/c1-17-25-21(22(29(30)31)23(26-17)28-13-3-2-4-14-28)15-19(27-11-5-6-12-27)16-32-20-9-7-18(24)8-10-20/h7-10,15H,2-6,11-14,16H2,1H3/b19-15-