5-(2,2-dimethyl-6-nitro-1,3-dihydroinden-1-yl)-4-methylsulfanyl-pyrimidine

Systemtic Name: 5-(2,2-dimethyl-6-nitro-1,3-dihydroinden-1-yl)-4-methylsulfanyl-pyrimidine Openeye Name: 5-(2,2-dimethyl-6-nitro-indan-1-yl)-4-methylsulfanyl-pyrimidine CAS Name: 5-(2,2-dimethyl-6-nitro-1,3-dihydroinden-1-yl)-4-(methylthio)pyrimidine IUPAC Name: 5-(2,2-dimethyl-6-nitro-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine Traditional Name: 5-(2,2-dimethyl-6-nitro-indan-1-yl)-4-(methylthio)pyrimidine Formula: C16H17N3O2S MolecularWeight: 315.39008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C1C3=CN=CN=C3SC)C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(C1C3=CN=CN=C3SC)C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N3O2S/c1-16(2)7-10-4-5-11(19(20)21)6-12(10)14(16)13-8-17-9-18-15(13)22-3/h4-6,8-9,14H,7H2,1-3H3