2-azanyl-9-[[(1R,2S)-1-ethenyl-2-(hydroxymethyl)cyclopropyl]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[(1R,2S)-1-ethenyl-2-(hydroxymethyl)cyclopropyl]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(1R,2S)-2-(hydroxymethyl)-1-vinyl-cyclopropyl]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(1R,2S)-1-ethenyl-2-(hydroxymethyl)cyclopropyl]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(1R,2S)-1-ethenyl-2-(hydroxymethyl)cyclopropyl]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(1R,2S)-2-methylol-1-vinyl-cyclopropyl]methyl]-3H-purin-6-one Formula: C12H15N5O2 MolecularWeight: 261.2798

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1(CC1CO)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C=C[C@@]1(C[C@@H]1CO)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C12H15N5O2/c1-2-12(3-7(12)4-18)5-17-6-14-8-9(17)15-11(13)16-10(8)19/h2,6-7,18H,1,3-5H2,(H3,13,15,16,19)/t7-,12-/m1/s1