4-[(3-nitrophenyl)methylsulfanyl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[(3-nitrophenyl)methylsulfanyl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[(3-nitrophenyl)methylsulfanyl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[(3-nitrophenyl)methylthio]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[(3-nitrophenyl)methylsulfanyl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[(3-nitrobenzyl)thio]-6-pyrrolidino-pyrimidine Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O2S/c20-19(21)13-5-3-4-12(8-13)10-22-15-9-14(16-11-17-15)18-6-1-2-7-18/h3-5,8-9,11H,1-2,6-7,10H2