N-[(4aS,8aR)-8a-[1,1-bis(oxidanyl)ethyl]-7-oxidanyl-4-oxidanylidene-3,4a,5,8-tetrahydroquinazolin-2-yl]ethanamide

Systemtic Name: N-[(4aS,8aR)-8a-[1,1-bis(oxidanyl)ethyl]-7-oxidanyl-4-oxidanylidene-3,4a,5,8-tetrahydroquinazolin-2-yl]ethanamide Openeye Name: N-[(4aS,8aR)-8a-(1,1-dihydroxyethyl)-7-hydroxy-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl]acetamide CAS Name: N-[(4aS,8aR)-8a-(1,1-dihydroxyethyl)-7-hydroxy-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl]acetamide IUPAC Name: N-[(4aS,8aR)-8a-(1,1-dihydroxyethyl)-7-hydroxy-4-oxo-3,4a,5,8-tetrahydroquinazolin-2-yl]acetamide Traditional Name: N-[(4aS,8aR)-8a-(1,1-dihydroxyethyl)-7-hydroxy-4-keto-3,4a,5,8-tetrahydroquinazolin-2-yl]acetamide Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2(CC(=CCC2C(=O)N1)O)C(C)(O)O

Isomeric SMILES

CC(=O)NC1=N[C@@]2(CC(=CC[C@@H]2C(=O)N1)O)C(C)(O)O

InChI

InChI=1S/C12H17N3O5/c1-6(16)13-10-14-9(18)8-4-3-7(17)5-12(8,15-10)11(2,19)20/h3,8,17,19-20H,4-5H2,1-2H3,(H2,13,14,15,16,18)/t8-,12-/m1/s1