4-azanyl-1-[[(2R,3S,4S)-3,4-bis(phenylmethoxymethyl)oxetan-2-yl]methyl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[[(2R,3S,4S)-3,4-bis(phenylmethoxymethyl)oxetan-2-yl]methyl]pyrimidin-2-one Openeye Name: 4-amino-1-[[(2R,3S,4S)-3,4-bis(benzyloxymethyl)oxetan-2-yl]methyl]pyrimidin-2-one CAS Name: 4-amino-1-[[(2R,3S,4S)-3,4-bis(phenylmethoxymethyl)-2-oxetanyl]methyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[[(2R,3S,4S)-3,4-bis(phenylmethoxymethyl)oxetan-2-yl]methyl]pyrimidin-2-one Traditional Name: 4-amino-1-[[(2R,3S,4S)-3,4-bis(benzoxymethyl)oxetan-2-yl]methyl]pyrimidin-2-one Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(OC2COCC3=CC=CC=C3)CN4C=CC(=NC4=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC[C@H]2[C@@H](O[C@@H]2COCC3=CC=CC=C3)CN4C=CC(=NC4=O)N

InChI

InChI=1S/C24H27N3O4/c25-23-11-12-27(24(28)26-23)13-21-20(16-29-14-18-7-3-1-4-8-18)22(31-21)17-30-15-19-9-5-2-6-10-19/h1-12,20-22H,13-17H2,(H2,25,26,28)/t20-,21-,22+/m0/s1