5,5-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-4,6-dihydro-1H-pyrimidine

Systemtic Name: 5,5-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-4,6-dihydro-1H-pyrimidine Openeye Name: 5,5-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-4,6-dihydro-1H-pyrimidine CAS Name: 5,5-dimethyl-2-[(4-nitrophenyl)methylthio]-4,6-dihydro-1H-pyrimidine IUPAC Name: 5,5-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-4,6-dihydro-1H-pyrimidine Traditional Name: 5,5-dimethyl-2-[(4-nitrobenzyl)thio]-4,6-dihydro-1H-pyrimidine Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=NC1)SCC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CNC(=NC1)SCC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H17N3O2S/c1-13(2)8-14-12(15-9-13)19-7-10-3-5-11(6-4-10)16(17)18/h3-6H,7-9H2,1-2H3,(H,14,15)