4-azanyl-1-[4,4-bis(hydroxymethyl)-2-methyl-cyclopent-2-en-1-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[4,4-bis(hydroxymethyl)-2-methyl-cyclopent-2-en-1-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[4,4-bis(hydroxymethyl)-2-methyl-cyclopent-2-en-1-yl]pyrimidin-2-one CAS Name: 4-amino-1-[4,4-bis(hydroxymethyl)-2-methyl-1-cyclopent-2-enyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[4,4-bis(hydroxymethyl)-2-methylcyclopent-2-en-1-yl]pyrimidin-2-one Traditional Name: 4-amino-1-(2-methyl-4,4-dimethylol-cyclopent-2-en-1-yl)pyrimidin-2-one Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(CC1N2C=CC(=NC2=O)N)(CO)CO

Isomeric SMILES

CC1=CC(CC1N2C=CC(=NC2=O)N)(CO)CO

InChI

InChI=1S/C12H17N3O3/c1-8-4-12(6-16,7-17)5-9(8)15-3-2-10(13)14-11(15)18/h2-4,9,16-17H,5-7H2,1H3,(H2,13,14,18)