9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-oxidanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]-2-azanyl-7-prop-2-enyl-3H-purine-6,8-dione

Systemtic Name: 9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-oxidanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]-2-azanyl-7-prop-2-enyl-3H-purine-6,8-dione Openeye Name: 9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]-7-allyl-2-amino-3H-purine-6,8-dione CAS Name: 9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]-2-amino-7-prop-2-enyl-3H-purine-6,8-dione IUPAC Name: 9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]-2-amino-7-prop-2-enyl-3H-purine-6,8-dione Traditional Name: 9-[(3aR,4R,6R,6aR)-2-keto-6-methylol-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]-7-allyl-2-amino-3H-purine-6,8-quinone Formula: C13H15N5O7S MolecularWeight: 385.3525

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(NC(=NC2=O)N)N(C1=O)C3C4C(C(O3)CO)OS(=O)O4

Isomeric SMILES

C=CCN1C2=C(NC(=NC2=O)N)N(C1=O)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OS(=O)O4

InChI

InChI=1S/C13H15N5O7S/c1-2-3-17-6-9(15-12(14)16-10(6)20)18(13(17)21)11-8-7(5(4-19)23-11)24-26(22)25-8/h2,5,7-8,11,19H,1,3-4H2,(H3,14,15,16,20)/t5-,7-,8-,11-,26?/m1/s1