6-[(7-methoxy-2-oxidanylidene-1,4-benzoxazin-3-yl)methylsulfanyl]-5-methyl-3-(phenylmethyl)-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[(7-methoxy-2-oxidanylidene-1,4-benzoxazin-3-yl)methylsulfanyl]-5-methyl-3-(phenylmethyl)-1H-pyrimidine-2,4-dione Openeye Name: 3-benzyl-6-[(7-methoxy-2-oxo-1,4-benzoxazin-3-yl)methylsulfanyl]-5-methyl-1H-pyrimidine-2,4-dione CAS Name: 6-[(7-methoxy-2-oxo-1,4-benzoxazin-3-yl)methylthio]-5-methyl-3-(phenylmethyl)-1H-pyrimidine-2,4-dione IUPAC Name: 3-benzyl-6-[(7-methoxy-2-oxo-1,4-benzoxazin-3-yl)methylsulfanyl]-5-methyl-1H-pyrimidine-2,4-dione Traditional Name: 3-benzyl-6-[(2-keto-7-methoxy-1,4-benzoxazin-3-yl)methylthio]-5-methyl-uracil Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)N(C1=O)CC2=CC=CC=C2)SCC3=NC4=C(C=C(C=C4)OC)OC3=O

Isomeric SMILES

CC1=C(NC(=O)N(C1=O)CC2=CC=CC=C2)SCC3=NC4=C(C=C(C=C4)OC)OC3=O

InChI

InChI=1S/C22H19N3O5S/c1-13-19(24-22(28)25(20(13)26)11-14-6-4-3-5-7-14)31-12-17-21(27)30-18-10-15(29-2)8-9-16(18)23-17/h3-10H,11-12H2,1-2H3,(H,24,28)