4-(4-chlorophenyl)sulfanyl-5-nitro-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-5-nitro-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-(4-chlorophenyl)sulfanyl-5-nitro-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-5-nitro-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-(4-chlorophenyl)sulfanyl-5-nitro-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[(4-chlorophenyl)thio]-5-nitro-6-pyrrolidino-pyrimidine Formula: C14H13ClN4O2S MolecularWeight: 336.79662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN4O2S/c15-10-3-5-11(6-4-10)22-14-12(19(20)21)13(16-9-17-14)18-7-1-2-8-18/h3-6,9H,1-2,7-8H2