6-methylsulfanyl-5-nitro-1,3-bis(pyridin-3-ylmethyl)-2,4-dihydropyrimidine

Systemtic Name: 6-methylsulfanyl-5-nitro-1,3-bis(pyridin-3-ylmethyl)-2,4-dihydropyrimidine Openeye Name: 6-methylsulfanyl-5-nitro-1,3-bis(3-pyridylmethyl)-2,4-dihydropyrimidine CAS Name: 6-(methylthio)-5-nitro-1,3-bis(3-pyridinylmethyl)-2,4-dihydropyrimidine IUPAC Name: 6-methylsulfanyl-5-nitro-1,3-bis(pyridin-3-ylmethyl)-2,4-dihydropyrimidine Traditional Name: 6-(methylthio)-5-nitro-1,3-bis(3-pyridylmethyl)-2,4-dihydropyrimidine Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(CN(CN1CC2=CN=CC=C2)CC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(CN(CN1CC2=CN=CC=C2)CC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O2S/c1-25-17-16(22(23)24)12-20(10-14-4-2-6-18-8-14)13-21(17)11-15-5-3-7-19-9-15/h2-9H,10-13H2,1H3