5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-(2-methoxy-5-nitro-benzyl)-6-methyl-2-thioxo-1H-pyrimidin-4-one Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C13H13N3O4S/c1-7-10(12(17)15-13(21)14-7)6-8-5-9(16(18)19)3-4-11(8)20-2/h3-5H,6H2,1-2H3,(H2,14,15,17,21)