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

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-cyclopropyl-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]pyrimidine-2,4-quinone Formula: C17H17N3O5S MolecularWeight: 375.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=CC4=C(C=C3)OCCO4)N

Isomeric SMILES

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=CC4=C(C=C3)OCCO4)N

InChI

InChI=1S/C17H17N3O5S/c18-15-14(16(22)19-17(23)20(15)9-1-2-9)11(21)8-26-10-3-4-12-13(7-10)25-6-5-24-12/h3-4,7,9H,1-2,5-6,8,18H2,(H,19,22,23)