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

Systemtic Name: 6-azanyl-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-3-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-3-methylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]-3-methyl-pyrimidine-2,4-quinone Formula: C22H21N3O5S MolecularWeight: 439.48424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21N3O5S/c1-24-21(27)19(20(23)25(22(24)28)12-14-5-3-2-4-6-14)16(26)13-31-15-7-8-17-18(11-15)30-10-9-29-17/h2-8,11H,9-10,12-13,23H2,1H3