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

Systemtic Name: 6-azanyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC3=C(C=C2)OCCCO3)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC3=C(C=C2)OCCCO3)N

InChI

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