5-nitro-4-phenylsulfanyl-6-propan-2-yloxy-pyrimidine

Systemtic Name: 5-nitro-4-phenylsulfanyl-6-propan-2-yloxy-pyrimidine Openeye Name: 4-isopropoxy-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 5-nitro-4-(phenylthio)-6-propan-2-yloxypyrimidine IUPAC Name: 5-nitro-4-phenylsulfanyl-6-propan-2-yloxypyrimidine Traditional Name: 4-isopropoxy-5-nitro-6-(phenylthio)pyrimidine Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c1-9(2)19-12-11(16(17)18)13(15-8-14-12)20-10-6-4-3-5-7-10/h3-9H,1-2H3