4-(4-methylphenyl)sulfanyl-5-nitro-6-propan-2-yloxy-pyrimidine

Systemtic Name: 4-(4-methylphenyl)sulfanyl-5-nitro-6-propan-2-yloxy-pyrimidine Openeye Name: 4-isopropoxy-5-nitro-6-(p-tolylsulfanyl)pyrimidine CAS Name: 4-[(4-methylphenyl)thio]-5-nitro-6-propan-2-yloxypyrimidine IUPAC Name: 4-(4-methylphenyl)sulfanyl-5-nitro-6-propan-2-yloxypyrimidine Traditional Name: 4-isopropoxy-5-nitro-6-(p-tolylthio)pyrimidine Formula: C14H15N3O3S MolecularWeight: 305.3522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])OC(C)C

InChI

InChI=1S/C14H15N3O3S/c1-9(2)20-13-12(17(18)19)14(16-8-15-13)21-11-6-4-10(3)5-7-11/h4-9H,1-3H3