2-(2,4-dinitrophenyl)sulfanyl-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-(2,4-dinitrophenyl)sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2,4-dinitrophenyl)thio]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-(2,4-dinitrophenyl)sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-[(2,4-dinitrophenyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H14N4O5S/c1-11-14(9-12-5-3-2-4-6-12)17(23)20-18(19-11)28-16-8-7-13(21(24)25)10-15(16)22(26)27/h2-8,10H,9H2,1H3,(H,19,20,23)