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

Systemtic Name: 6-azanyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-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-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-1-(2-methylpropyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-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-pyrimidine-2,4-quinone Formula: C19H23N3O5S MolecularWeight: 405.46802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC3=C(C=C2)OCCCO3)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC3=C(C=C2)OCCCO3)N

InChI

InChI=1S/C19H23N3O5S/c1-11(2)9-22-17(20)16(18(24)21-19(22)25)13(23)10-28-12-4-5-14-15(8-12)27-7-3-6-26-14/h4-5,8,11H,3,6-7,9-10,20H2,1-2H3,(H,21,24,25)