6-methylsulfanyl-5-nitro-3-(phenylmethyl)-2,4-dihydro-1H-pyrimidine

Systemtic Name: 6-methylsulfanyl-5-nitro-3-(phenylmethyl)-2,4-dihydro-1H-pyrimidine Openeye Name: 3-benzyl-6-methylsulfanyl-5-nitro-2,4-dihydro-1H-pyrimidine CAS Name: 6-(methylthio)-5-nitro-3-(phenylmethyl)-2,4-dihydro-1H-pyrimidine IUPAC Name: 3-benzyl-6-methylsulfanyl-5-nitro-2,4-dihydro-1H-pyrimidine Traditional Name: 3-benzyl-6-(methylthio)-5-nitro-2,4-dihydro-1H-pyrimidine Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(CN(CN1)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(CN(CN1)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O2S/c1-18-12-11(15(16)17)8-14(9-13-12)7-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3