(5R,5aS)-5-(4-hydroxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione

Systemtic Name: (5R,5aS)-5-(4-hydroxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione Openeye Name: (5R,5aS)-5-(4-hydroxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione CAS Name: (5R,5aS)-5-(4-hydroxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione IUPAC Name: (5R,5aS)-5-(4-hydroxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione Traditional Name: (5R,5aS)-5-(4-hydroxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2C(C3=C(NC2=C1)NC(=O)NC3=O)C4=CC=C(C=C4)O

Isomeric SMILES

C1CC(=O)[C@H]2[C@@H](C3=C(NC2=C1)NC(=O)NC3=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C17H15N3O4/c21-9-6-4-8(5-7-9)12-13-10(2-1-3-11(13)22)18-15-14(12)16(23)20-17(24)19-15/h2,4-7,12-13,21H,1,3H2,(H3,18,19,20,23,24)/t12-,13-/m0/s1