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

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-cyclopropyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]pyrimidine-2,4-quinone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)OC1

InChI

InChI=1S/C18H19N3O5S/c19-16-15(17(23)20-18(24)21(16)10-2-3-10)12(22)9-27-11-4-5-13-14(8-11)26-7-1-6-25-13/h4-5,8,10H,1-3,6-7,9,19H2,(H,20,23,24)