methyl 1-[[3-[(4-azanyl-2-butoxy-6-oxidanylidene-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[3-[(4-azanyl-2-butoxy-6-oxidanylidene-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(4-amino-2-butoxy-6-keto-5,7-dihydropteridin-8-yl)methyl]benzyl]isonipecotic acid methyl ester Formula: C25H34N6O4 MolecularWeight: 482.57526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)CN2CC3=CC(=CC=C3)CN4CCC(CC4)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)CN2CC3=CC(=CC=C3)CN4CCC(CC4)C(=O)OC

InChI

InChI=1S/C25H34N6O4/c1-3-4-12-35-25-28-22(26)21-23(29-25)31(16-20(32)27-21)15-18-7-5-6-17(13-18)14-30-10-8-19(9-11-30)24(33)34-2/h5-7,13,19H,3-4,8-12,14-16H2,1-2H3,(H,27,32)(H2,26,28,29)