3-[(4-azanyl-6-oxidanylidene-2-pentyl-5,7-dihydropteridin-8-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-azanyl-6-oxidanylidene-2-pentyl-5,7-dihydropteridin-8-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-amino-6-oxo-2-pentyl-5,7-dihydropteridin-8-yl)methyl]benzonitrile CAS Name: 3-[(4-amino-6-oxo-2-pentyl-5,7-dihydropteridin-8-yl)methyl]benzonitrile IUPAC Name: 3-[(4-amino-6-oxo-2-pentyl-5,7-dihydropteridin-8-yl)methyl]benzonitrile Traditional Name: 3-[(4-amino-2-amyl-6-keto-5,7-dihydropteridin-8-yl)methyl]benzonitrile Formula: C19H22N6O MolecularWeight: 350.41758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(C(=N1)N)NC(=O)CN2CC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCCCC1=NC2=C(C(=N1)N)NC(=O)CN2CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H22N6O/c1-2-3-4-8-15-22-18(21)17-19(23-15)25(12-16(26)24-17)11-14-7-5-6-13(9-14)10-20/h5-7,9H,2-4,8,11-12H2,1H3,(H,24,26)(H2,21,22,23)