3-[[(3S,5R)-4-oxidanyl-1-adamantyl]methyl]pyrido[4,3-d]pyrimidin-4-one

Systemtic Name: 3-[[(3S,5R)-4-oxidanyl-1-adamantyl]methyl]pyrido[4,3-d]pyrimidin-4-one Openeye Name: 3-[[(3S,5R)-4-hydroxy-1-adamantyl]methyl]pyrido[4,3-d]pyrimidin-4-one CAS Name: 3-[[(3S,5R)-4-hydroxy-1-adamantyl]methyl]-4-pyrido[4,3-d]pyrimidinone IUPAC Name: 3-[[(3S,5R)-4-hydroxy-1-adamantyl]methyl]pyrido[4,3-d]pyrimidin-4-one Traditional Name: 3-[[(3S,5R)-4-hydroxy-1-adamantyl]methyl]pyrido[4,3-d]pyrimidin-4-one Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3O)CN4C=NC5=C(C4=O)C=NC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2O)CC1C3)CN4C=NC5=C(C4=O)C=NC=C5

InChI

InChI=1S/C18H21N3O2/c22-16-12-3-11-4-13(16)7-18(5-11,6-12)9-21-10-20-15-1-2-19-8-14(15)17(21)23/h1-2,8,10-13,16,22H,3-7,9H2/t11?,12-,13+,16?,18?