4-azanyl-1-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[(3R,5S,6R)-5-benzyloxy-6-(benzyloxymethyl)tetrahydropyran-3-yl]pyrimidin-2-one CAS Name: 4-amino-1-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-oxanyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[(3R,5S,6R)-5-benzoxy-6-(benzoxymethyl)tetrahydropyran-3-yl]pyrimidin-2-one Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC(C1OCC2=CC=CC=C2)COCC3=CC=CC=C3)N4C=CC(=NC4=O)N

Isomeric SMILES

C1[C@H](CO[C@@H]([C@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)N4C=CC(=NC4=O)N

InChI

InChI=1S/C24H27N3O4/c25-23-11-12-27(24(28)26-23)20-13-21(30-15-19-9-5-2-6-10-19)22(31-16-20)17-29-14-18-7-3-1-4-8-18/h1-12,20-22H,13-17H2,(H2,25,26,28)/t20-,21+,22-/m1/s1