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

Systemtic Name: 4-azanyl-8-[(2R,4R,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-methyl-6-methylidene-pteridin-8-ium-7-one Openeye Name: 4-amino-8-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methyl-6-methylene-pteridin-8-ium-7-one CAS Name: 4-amino-8-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-methyl-6-methylene-7-pteridin-8-iumone IUPAC Name: 4-amino-8-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-6-methylidenepteridin-8-ium-7-one Traditional Name: 4-amino-8-[(2R,4R,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-2-methyl-6-methylene-pteridin-8-ium-7-one Formula: C13H16N5O4+ MolecularWeight: 306.29724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=[N+](C(=O)C(=C)N=C2C(=N1)N)C3CC(C(O3)CO)O

Isomeric SMILES

CC1=NC2=[N+](C(=O)C(=C)N=C2C(=N1)N)[C@H]3C[C@H]([C@H](O3)CO)O

InChI

InChI=1S/C13H15N5O4/c1-5-13(21)18(9-3-7(20)8(4-19)22-9)12-10(15-5)11(14)16-6(2)17-12/h7-9,14,19-20H,1,3-4H2,2H3/p+1/t7-,8-,9-/m1/s1