2-azanyl-9-[(2R,4R,5S)-5-(hydroxymethyl)-4-prop-1-en-2-yl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,4R,5S)-5-(hydroxymethyl)-4-prop-1-en-2-yl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,4R,5S)-5-(hydroxymethyl)-4-isopropenyl-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,4R,5S)-5-(hydroxymethyl)-4-(1-methylethenyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,4R,5S)-5-(hydroxymethyl)-4-prop-1-en-2-yloxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,4R,5S)-4-isopropenyl-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CC(OC1CO)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O3/c1-6(2)7-3-9(21-8(7)4-19)18-5-15-10-11(18)16-13(14)17-12(10)20/h5,7-9,19H,1,3-4H2,2H3,(H3,14,16,17,20)/t7-,8-,9-/m1/s1