4-azanyl-1-[(3R,5S)-3-(hydroxymethyl)-1,4-dioxepan-5-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(3R,5S)-3-(hydroxymethyl)-1,4-dioxepan-5-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[(3R,5S)-3-(hydroxymethyl)-1,4-dioxepan-5-yl]pyrimidin-2-one CAS Name: 4-amino-1-[(3R,5S)-3-(hydroxymethyl)-1,4-dioxepan-5-yl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(3R,5S)-3-(hydroxymethyl)-1,4-dioxepan-5-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[(3R,5S)-3-methylol-1,4-dioxepan-5-yl]pyrimidin-2-one Formula: C10H15N3O4 MolecularWeight: 241.2438

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC(OC1N2C=CC(=NC2=O)N)CO

Isomeric SMILES

C1COC[C@H](O[C@@H]1N2C=CC(=NC2=O)N)CO

InChI

InChI=1S/C10H15N3O4/c11-8-1-3-13(10(15)12-8)9-2-4-16-6-7(5-14)17-9/h1,3,7,9,14H,2,4-6H2,(H2,11,12,15)/t7-,9+/m1/s1