2-azanyl-6-propyl-1H-pteridin-4-one; bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile

Systemtic Name: 2-azanyl-6-propyl-1H-pteridin-4-one; bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile Openeye Name: 2-amino-6-propyl-1H-pteridin-4-one; bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile CAS Name: 2-amino-6-propyl-1H-pteridin-4-one; 3-bicyclo[2.2.0]hexa-1(4),2,5-trienecarbonitrile IUPAC Name: 2-amino-6-propyl-1H-pteridin-4-one; bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile Traditional Name: 2-amino-6-propyl-1H-pteridin-4-one; bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile Formula: C16H14N6O MolecularWeight: 306.32196

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C2C(=N1)C(=O)N=C(N2)N.C1=CC2=C1C=C2C#N

Isomeric SMILES

CCCC1=CN=C2C(=N1)C(=O)N=C(N2)N.C1=CC2=C1C=C2C#N

InChI

InChI=1S/C9H11N5O.C7H3N/c1-2-3-5-4-11-7-6(12-5)8(15)14-9(10)13-7;8-4-6-3-5-1-2-7(5)6/h4H,2-3H2,1H3,(H3,10,11,13,14,15);1-3H