2-azanyl-3-ethynyl-pteridin-4-one; benzene

Systemtic Name: 2-azanyl-3-ethynyl-pteridin-4-one; benzene Openeye Name: 2-amino-3-ethynyl-pteridin-4-one; benzene CAS Name: 2-amino-3-ethynyl-4-pteridinone; benzene IUPAC Name: 2-amino-3-ethynylpteridin-4-one; benzene Traditional Name: 2-amino-3-ethynyl-pteridin-4-one; benzene Formula: C14H11N5O MolecularWeight: 265.27004

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Descriptors Computed from Structure

Canonical SMILES:

C#CN1C(=O)C2=NC=CN=C2N=C1N.C1=CC=CC=C1

Isomeric SMILES

C#CN1C(=O)C2=NC=CN=C2N=C1N.C1=CC=CC=C1

InChI

InChI=1S/C8H5N5O.C6H6/c1-2-13-7(14)5-6(12-8(13)9)11-4-3-10-5;1-2-4-6-5-3-1/h1,3-4H,(H2,9,11,12);1-6H