N-butyl-4-[methyl-[1-[2-(methylamino)-4-oxidanylidene-1H-pteridin-6-yl]ethyl]amino]benzamide

Systemtic Name: N-butyl-4-[methyl-[1-[2-(methylamino)-4-oxidanylidene-1H-pteridin-6-yl]ethyl]amino]benzamide Openeye Name: N-butyl-4-[methyl-[1-[2-(methylamino)-4-oxo-1H-pteridin-6-yl]ethyl]amino]benzamide CAS Name: N-butyl-4-[methyl-[1-[2-(methylamino)-4-oxo-1H-pteridin-6-yl]ethyl]amino]benzamide IUPAC Name: N-butyl-4-[methyl-[1-[2-(methylamino)-4-oxo-1H-pteridin-6-yl]ethyl]amino]benzamide Traditional Name: N-butyl-4-[1-[4-keto-2-(methylamino)-1H-pteridin-6-yl]ethyl-methyl-amino]benzamide Formula: C21H27N7O2 MolecularWeight: 409.48478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)N(C)C(C)C2=CN=C3C(=N2)C(=O)N=C(N3)NC

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)N(C)C(C)C2=CN=C3C(=N2)C(=O)N=C(N3)NC

InChI

InChI=1S/C21H27N7O2/c1-5-6-11-23-19(29)14-7-9-15(10-8-14)28(4)13(2)16-12-24-18-17(25-16)20(30)27-21(22-3)26-18/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,29)(H2,22,24,26,27,30)