4-azanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-oxidanylidene-4H-pyrrolo[2,3-d]pyrimidin-3-ium-5-carbonitrile

Systemtic Name: 4-azanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-oxidanylidene-4H-pyrrolo[2,3-d]pyrimidin-3-ium-5-carbonitrile Openeye Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-oxo-4H-pyrrolo[2,3-d]pyrimidin-3-ium-5-carbonitrile CAS Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-oxo-4H-pyrrolo[2,3-d]pyrimidin-3-ium-5-carbonitrile IUPAC Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxo-4H-pyrrolo[2,3-d]pyrimidin-3-ium-5-carbonitrile Traditional Name: 4-amino-7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3-keto-4H-pyrrolo[2,3-d]pyrimidin-3-ium-5-carbonitrile Formula: C12H14N5O5+ MolecularWeight: 308.27006

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=C[N+](=O)C2N)C#N

Isomeric SMILES

C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=C[N+](=O)C2N)C#N

InChI

InChI=1S/C12H14N5O5/c13-1-5-2-16(11-7(5)10(14)17(21)4-15-11)12-9(20)8(19)6(3-18)22-12/h2,4,6,8-10,12,18-20H,3,14H2/q+1