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

Systemtic Name: 3-[(4-azanyl-2-butoxy-6-oxidanylidene-5,7-dihydropteridin-8-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]benzonitrile CAS Name: 3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]benzonitrile IUPAC Name: 3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]benzonitrile Traditional Name: 3-[(4-amino-2-butoxy-6-keto-5,7-dihydropteridin-8-yl)methyl]benzonitrile Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)CN2CC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)CN2CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H20N6O2/c1-2-3-7-26-18-22-16(20)15-17(23-18)24(11-14(25)21-15)10-13-6-4-5-12(8-13)9-19/h4-6,8H,2-3,7,10-11H2,1H3,(H,21,25)(H2,20,22,23)