6-azanyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-1-isobutyl-3-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]-1-isobutyl-3-methyl-pyrimidine-2,4-quinone Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC3=C(C=C2)OCCCO3)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC3=C(C=C2)OCCCO3)N

InChI

InChI=1S/C20H25N3O5S/c1-12(2)10-23-18(21)17(19(25)22(3)20(23)26)14(24)11-29-13-5-6-15-16(9-13)28-8-4-7-27-15/h5-6,9,12H,4,7-8,10-11,21H2,1-3H3