2-azanyl-9-[(2R,3S,4S,5R)-3-ethenyl-5-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,3S,4S,5R)-3-ethenyl-5-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,3S,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)-3-vinyl-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,3S,4S,5R)-3-ethenyl-5-ethynyl-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,3S,4S,5R)-3-ethenyl-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,3S,4S,5R)-5-ethynyl-4-hydroxy-5-methylol-3-vinyl-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C14H15N5O4 MolecularWeight: 317.3

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)(CO)C#C)O

Isomeric SMILES

C=C[C@H]1[C@@H]([C@](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)(CO)C#C)O

InChI

InChI=1S/C14H15N5O4/c1-3-7-9(21)14(4-2,5-20)23-12(7)19-6-16-8-10(19)17-13(15)18-11(8)22/h2-3,6-7,9,12,20-21H,1,5H2,(H3,15,17,18,22)/t7-,9-,12+,14+/m0/s1