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2-[4-[(2-butyl-4-oxidanylidene-pteridin-3-yl)methyl]phenyl]benzoic acid

2-[4-[(2-butyl-4-oxidanylidene-pteridin-3-yl)methyl]phenyl]benzoic acid

Systemtic Name:2-[4-[(2-butyl-4-oxidanylidene-pteridin-3-yl)methyl]phenyl]benzoic acid
Openeye Name:2-[4-[(2-butyl-4-oxo-pteridin-3-yl)methyl]phenyl]benzoic acid
CAS Name:2-[4-[(2-butyl-4-oxo-3-pteridinyl)methyl]phenyl]benzoic acid
IUPAC Name:2-[4-[(2-butyl-4-oxopteridin-3-yl)methyl]phenyl]benzoic acid
Traditional Name:2-[4-[(2-butyl-4-keto-pteridin-3-yl)methyl]phenyl]benzoic acid
Formula: C24H22N4O3
MolecularWeight: 414.45648
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=NC=CN=C2C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O


Isomeric SMILES

CCCCC1=NC2=NC=CN=C2C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O


InChI

InChI=1S/C24H22N4O3/c1-2-3-8-20-27-22-21(25-13-14-26-22)23(29)28(20)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)24(30)31/h4-7,9-14H,2-3,8,15H2,1H3,(H,30,31)


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