4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-N-[2-(4-hydroxyphenyl)ethyl]benzamide

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-N-[2-(4-hydroxyphenyl)ethyl]benzamide Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-N-[2-(4-hydroxyphenyl)ethyl]benzamide CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-N-[2-(4-hydroxyphenyl)ethyl]benzamide IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-N-[2-(4-hydroxyphenyl)ethyl]benzamide Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]-N-[2-(4-hydroxyphenyl)ethyl]benzamide Formula: C22H21N7O3 MolecularWeight: 431.44724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N)O

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N)O

InChI

InChI=1S/C22H21N7O3/c23-22-28-19-18(21(32)29-22)27-16(12-26-19)11-25-15-5-3-14(4-6-15)20(31)24-10-9-13-1-7-17(30)8-2-13/h1-8,12,25,30H,9-11H2,(H,24,31)(H3,23,26,28,29,32)