6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-prop-2-enyl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-prop-2-enyl-1H-pyrimidin-4-one Openeye Name: 5-allyl-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-5-prop-2-enyl-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-5-prop-2-enyl-1H-pyrimidin-4-one Traditional Name: 5-allyl-6-methyl-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-4-one Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)C(=C(N2)C)CC=C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)C(=C(N2)C)CC=C

InChI

InChI=1S/C16H17N3O3S/c1-4-5-14-11(3)17-16(18-15(14)20)23-9-12-8-13(19(21)22)7-6-10(12)2/h4,6-8H,1,5,9H2,2-3H3,(H,17,18,20)