2-azanyl-7-[3-(hydroxymethyl)-4-oxidanyl-butyl]-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-7-[3-(hydroxymethyl)-4-oxidanyl-butyl]-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 2-amino-7-[4-hydroxy-3-(hydroxymethyl)butyl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 2-amino-7-[4-hydroxy-3-(hydroxymethyl)butyl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile IUPAC Name: 2-amino-7-[4-hydroxy-3-(hydroxymethyl)butyl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 2-amino-7-(4-hydroxy-3-methylol-butyl)-4-keto-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(N1CCC(CO)CO)NC(=NC2=O)N)C#N

Isomeric SMILES

C1=C(C2=C(N1CCC(CO)CO)NC(=NC2=O)N)C#N

InChI

InChI=1S/C12H15N5O3/c13-3-8-4-17(2-1-7(5-18)6-19)10-9(8)11(20)16-12(14)15-10/h4,7,18-19H,1-2,5-6H2,(H3,14,15,16,20)