4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-N-[3-(dioxidanyl)but-3-enyl]benzamide

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-N-[3-(dioxidanyl)but-3-enyl]benzamide Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-N-(3-hydroperoxybut-3-enyl)benzamide CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-N-(3-hydroperoxybut-3-enyl)benzamide IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-N-(3-hydroperoxybut-3-enyl)benzamide Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]-N-(3-hydroperoxybut-3-enyl)benzamide Formula: C18H19N7O4 MolecularWeight: 397.38796

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCNC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)OO

Isomeric SMILES

C=C(CCNC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)OO

InChI

InChI=1S/C18H19N7O4/c1-10(29-28)6-7-20-16(26)11-2-4-12(5-3-11)21-8-13-9-22-15-14(23-13)17(27)25-18(19)24-15/h2-5,9,21,28H,1,6-8H2,(H,20,26)(H3,19,22,24,25,27)