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

Systemtic Name: 3-[(4-azanyl-2-butoxy-6-oxidanylidene-5,7-dihydropteridin-8-yl)methyl]benzaldehyde Openeye Name: 3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]benzaldehyde CAS Name: 3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]benzaldehyde IUPAC Name: 3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]benzaldehyde Traditional Name: 3-[(4-amino-2-butoxy-6-keto-5,7-dihydropteridin-8-yl)methyl]benzaldehyde Formula: C18H21N5O3 MolecularWeight: 355.39104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3/c1-2-3-7-26-18-21-16(19)15-17(22-18)23(10-14(25)20-15)9-12-5-4-6-13(8-12)11-24/h4-6,8,11H,2-3,7,9-10H2,1H3,(H,20,25)(H2,19,21,22)