2-azanyl-9-[4-ethynyl-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[4-ethynyl-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[4-ethynyl-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one CAS Name: 2-amino-9-[4-ethynyl-4-(hydroxymethyl)-1-cyclopent-2-enyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-ethynyl-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one Traditional Name: 2-amino-9-(4-ethynyl-4-methylol-cyclopent-2-en-1-yl)-3H-purin-6-one Formula: C13H13N5O2 MolecularWeight: 271.27462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CC(C=C1)N2C=NC3=C2NC(=NC3=O)N)CO

Isomeric SMILES

C#CC1(CC(C=C1)N2C=NC3=C2NC(=NC3=O)N)CO

InChI

InChI=1S/C13H13N5O2/c1-2-13(6-19)4-3-8(5-13)18-7-15-9-10(18)16-12(14)17-11(9)20/h1,3-4,7-8,19H,5-6H2,(H3,14,16,17,20)