(4S,5R)-9-pyridin-3-ylcarbonyl-3,4,5,7-tetrahydropurine-2,6,8-trione

Systemtic Name: (4S,5R)-9-pyridin-3-ylcarbonyl-3,4,5,7-tetrahydropurine-2,6,8-trione Openeye Name: (4S,5R)-9-(pyridine-3-carbonyl)-3,4,5,7-tetrahydropurine-2,6,8-trione CAS Name: (4S,5R)-9-[oxo(3-pyridinyl)methyl]-3,4,5,7-tetrahydropurine-2,6,8-trione IUPAC Name: (4S,5R)-9-(pyridine-3-carbonyl)-3,4,5,7-tetrahydropurine-2,6,8-trione Traditional Name: (4S,5R)-9-nicotinoyl-3,4,5,7-tetrahydropurine-2,6,8-trione Formula: C11H9N5O4 MolecularWeight: 275.22026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)N2C3C(C(=O)NC(=O)N3)NC2=O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)N2[C@H]3[C@H](C(=O)NC(=O)N3)NC2=O

InChI

InChI=1S/C11H9N5O4/c17-8-6-7(14-10(19)15-8)16(11(20)13-6)9(18)5-2-1-3-12-4-5/h1-4,6-7H,(H,13,20)(H2,14,15,17,19)/t6-,7+/m1/s1