4-[(Z)-2-(1-benzothiophen-2-yl)-2-pyrrolidin-1-yl-ethenyl]-2-methyl-5-nitro-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[(Z)-2-(1-benzothiophen-2-yl)-2-pyrrolidin-1-yl-ethenyl]-2-methyl-5-nitro-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[(Z)-2-(benzothiophen-2-yl)-2-pyrrolidin-1-yl-vinyl]-2-methyl-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 4-[(Z)-2-(1-benzothiophen-2-yl)-2-(1-pyrrolidinyl)ethenyl]-2-methyl-5-nitro-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[(Z)-2-(1-benzothiophen-2-yl)-2-pyrrolidin-1-ylethenyl]-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine Traditional Name: 4-[(Z)-2-(benzothiophen-2-yl)-2-pyrrolidino-vinyl]-2-methyl-5-nitro-6-piperidino-pyrimidine Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)N2CCCCC2)[N+](=O)[O-])C=C(C3=CC4=CC=CC=C4S3)N5CCCC5

Isomeric SMILES

CC1=NC(=C(C(=N1)N2CCCCC2)[N+](=O)[O-])/C=C(/C3=CC4=CC=CC=C4S3)\N5CCCC5

InChI

InChI=1S/C24H27N5O2S/c1-17-25-19(23(29(30)31)24(26-17)28-13-5-2-6-14-28)16-20(27-11-7-8-12-27)22-15-18-9-3-4-10-21(18)32-22/h3-4,9-10,15-16H,2,5-8,11-14H2,1H3/b20-16-