6-azanyl-2-[(4-nitrophenyl)methylsulfanyl]-1-prop-2-enyl-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(4-nitrophenyl)methylsulfanyl]-1-prop-2-enyl-pyrimidin-4-one Openeye Name: 1-allyl-6-amino-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-one CAS Name: 6-amino-2-[(4-nitrophenyl)methylthio]-1-prop-2-enyl-4-pyrimidinone IUPAC Name: 6-amino-2-[(4-nitrophenyl)methylsulfanyl]-1-prop-2-enylpyrimidin-4-one Traditional Name: 1-allyl-6-amino-2-[(4-nitrobenzyl)thio]pyrimidin-4-one Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CC(=O)N=C1SCC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C=CCN1C(=CC(=O)N=C1SCC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C14H14N4O3S/c1-2-7-17-12(15)8-13(19)16-14(17)22-9-10-3-5-11(6-4-10)18(20)21/h2-6,8H,1,7,9,15H2