6-azanyl-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-3-methyl-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-3-methyl-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]-3-methyl-1-propyl-pyrimidine-2,4-quinone Formula: C18H21N3O5S MolecularWeight: 391.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC3=C(C=C2)OCCO3)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC3=C(C=C2)OCCO3)N

InChI

InChI=1S/C18H21N3O5S/c1-3-6-21-16(19)15(17(23)20(2)18(21)24)12(22)10-27-11-4-5-13-14(9-11)26-8-7-25-13/h4-5,9H,3,6-8,10,19H2,1-2H3