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

Systemtic Name: N-butyl-4-[methyl-[[2-(methylamino)-4-oxidanylidene-1H-pteridin-6-yl]methyl]amino]benzamide Openeye Name: N-butyl-4-[methyl-[[2-(methylamino)-4-oxo-1H-pteridin-6-yl]methyl]amino]benzamide CAS Name: N-butyl-4-[methyl-[[2-(methylamino)-4-oxo-1H-pteridin-6-yl]methyl]amino]benzamide IUPAC Name: N-butyl-4-[methyl-[[2-(methylamino)-4-oxo-1H-pteridin-6-yl]methyl]amino]benzamide Traditional Name: N-butyl-4-[[4-keto-2-(methylamino)-1H-pteridin-6-yl]methyl-methyl-amino]benzamide Formula: C20H25N7O2 MolecularWeight: 395.4582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=O)N=C(N3)NC

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=O)N=C(N3)NC

InChI

InChI=1S/C20H25N7O2/c1-4-5-10-22-18(28)13-6-8-15(9-7-13)27(3)12-14-11-23-17-16(24-14)19(29)26-20(21-2)25-17/h6-9,11H,4-5,10,12H2,1-3H3,(H,22,28)(H2,21,23,25,26,29)