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

Systemtic Name: 6-azanyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-3-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-3-methylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]-3-methyl-pyrimidine-2,4-quinone Formula: C23H23N3O5S MolecularWeight: 453.51082

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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)OCCCO4

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H23N3O5S/c1-25-22(28)20(21(24)26(23(25)29)13-15-6-3-2-4-7-15)17(27)14-32-16-8-9-18-19(12-16)31-11-5-10-30-18/h2-4,6-9,12H,5,10-11,13-14,24H2,1H3