1-[(1R,3R,4S)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]-5-(methoxymethyl)-4-phenylazanyl-pyrimidin-2-one

Systemtic Name: 1-[(1R,3R,4S)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]-5-(methoxymethyl)-4-phenylazanyl-pyrimidin-2-one Openeye Name: 4-anilino-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methoxymethyl)pyrimidin-2-one CAS Name: 4-anilino-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methoxymethyl)-2-pyrimidinone IUPAC Name: 4-anilino-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methoxymethyl)pyrimidin-2-one Traditional Name: 4-anilino-1-[(1R,3S,4R)-3-hydroxy-4-methylol-cyclopentyl]-5-(methoxymethyl)pyrimidin-2-one Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CN(C(=O)N=C1NC2=CC=CC=C2)C3CC(C(C3)O)CO

Isomeric SMILES

COCC1=CN(C(=O)N=C1NC2=CC=CC=C2)[C@@H]3C[C@@H]([C@H](C3)O)CO

InChI

InChI=1S/C18H23N3O4/c1-25-11-13-9-21(15-7-12(10-22)16(23)8-15)18(24)20-17(13)19-14-5-3-2-4-6-14/h2-6,9,12,15-16,22-23H,7-8,10-11H2,1H3,(H,19,20,24)/t12-,15-,16+/m1/s1