5-ethyl-5-methyl-1-(3-nitroprop-2-enyl)-6-phenylsulfanyl-1,3-diazinane-2,4-dione

Systemtic Name: 5-ethyl-5-methyl-1-(3-nitroprop-2-enyl)-6-phenylsulfanyl-1,3-diazinane-2,4-dione Openeye Name: 5-ethyl-5-methyl-1-(3-nitroallyl)-6-phenylsulfanyl-hexahydropyrimidine-2,4-dione CAS Name: 5-ethyl-5-methyl-1-(3-nitroprop-2-enyl)-6-(phenylthio)-1,3-diazinane-2,4-dione IUPAC Name: 5-ethyl-5-methyl-1-(3-nitroprop-2-enyl)-6-phenylsulfanyl-1,3-diazinane-2,4-dione Traditional Name: 5-ethyl-5-methyl-1-(3-nitroallyl)-6-(phenylthio)-5,6-dihydrouracil Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C(=O)NC1=O)CC=C[N+](=O)[O-])SC2=CC=CC=C2)C

Isomeric SMILES

CCC1(C(N(C(=O)NC1=O)CC=C[N+](=O)[O-])SC2=CC=CC=C2)C

InChI

InChI=1S/C16H19N3O4S/c1-3-16(2)13(20)17-15(21)18(10-7-11-19(22)23)14(16)24-12-8-5-4-6-9-12/h4-9,11,14H,3,10H2,1-2H3,(H,17,20,21)