4-azanyl-1-[4,4-bis(hydroxymethyl)-5-methylidene-cyclopent-2-en-1-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[4,4-bis(hydroxymethyl)-5-methylidene-cyclopent-2-en-1-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[4,4-bis(hydroxymethyl)-5-methylene-cyclopent-2-en-1-yl]pyrimidin-2-one CAS Name: 4-amino-1-[4,4-bis(hydroxymethyl)-5-methylene-1-cyclopent-2-enyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[4,4-bis(hydroxymethyl)-5-methylidenecyclopent-2-en-1-yl]pyrimidin-2-one Traditional Name: 4-amino-1-(5-methylene-4,4-dimethylol-cyclopent-2-en-1-yl)pyrimidin-2-one Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C=CC1(CO)CO)N2C=CC(=NC2=O)N

Isomeric SMILES

C=C1C(C=CC1(CO)CO)N2C=CC(=NC2=O)N

InChI

InChI=1S/C12H15N3O3/c1-8-9(2-4-12(8,6-16)7-17)15-5-3-10(13)14-11(15)18/h2-5,9,16-17H,1,6-7H2,(H2,13,14,18)