(4R,4aS)-4-pyridin-4-yl-1,3,4,4a,6,7-hexahydroquinazoline-2,5-dione

Systemtic Name: (4R,4aS)-4-pyridin-4-yl-1,3,4,4a,6,7-hexahydroquinazoline-2,5-dione Openeye Name: (4R,4aS)-4-(4-pyridyl)-1,3,4,4a,6,7-hexahydroquinazoline-2,5-dione CAS Name: (4R,4aS)-4-pyridin-4-yl-1,3,4,4a,6,7-hexahydroquinazoline-2,5-dione IUPAC Name: (4R,4aS)-4-pyridin-4-yl-1,3,4,4a,6,7-hexahydroquinazoline-2,5-dione Traditional Name: (4R,4aS)-4-(4-pyridyl)-1,3,4,4a,6,7-hexahydroquinazoline-2,5-quinone Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2C(NC(=O)NC2=C1)C3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2/c17-10-3-1-2-9-11(10)12(16-13(18)15-9)8-4-6-14-7-5-8/h2,4-7,11-12H,1,3H2,(H2,15,16,18)/t11-,12-/m0/s1