4-azanyl-8-[(2R,4R,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methylidene-pteridin-8-ium-7-one

Systemtic Name: 4-azanyl-8-[(2R,4R,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methylidene-pteridin-8-ium-7-one Openeye Name: 4-amino-8-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methylene-pteridin-8-ium-7-one CAS Name: 4-amino-8-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-methylene-7-pteridin-8-iumone IUPAC Name: 4-amino-8-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylidenepteridin-8-ium-7-one Traditional Name: 4-amino-8-[(2R,4R,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-6-methylene-pteridin-8-ium-7-one Formula: C12H14N5O4+ MolecularWeight: 292.27066

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(=O)[N+](=C2C(=N1)C(=NC=N2)N)C3CC(C(O3)CO)O

Isomeric SMILES

C=C1C(=O)[N+](=C2C(=N1)C(=NC=N2)N)[C@H]3C[C@H]([C@H](O3)CO)O

InChI

InChI=1S/C12H13N5O4/c1-5-12(20)17(8-2-6(19)7(3-18)21-8)11-9(16-5)10(13)14-4-15-11/h4,6-8,13,18-19H,1-3H2/p+1/t6-,7-,8-/m1/s1