4-[4-[butyl(ethyl)amino]-2-methyl-6-oxidanylidene-5,7-dihydropteridin-8-yl]-3-methyl-benzenecarbonitrile

Systemtic Name: 4-[4-[butyl(ethyl)amino]-2-methyl-6-oxidanylidene-5,7-dihydropteridin-8-yl]-3-methyl-benzenecarbonitrile Openeye Name: 4-[4-[butyl(ethyl)amino]-2-methyl-6-oxo-5,7-dihydropteridin-8-yl]-3-methyl-benzonitrile CAS Name: 4-[4-[butyl(ethyl)amino]-2-methyl-6-oxo-5,7-dihydropteridin-8-yl]-3-methylbenzonitrile IUPAC Name: 4-[4-[butyl(ethyl)amino]-2-methyl-6-oxo-5,7-dihydropteridin-8-yl]-3-methylbenzonitrile Traditional Name: 4-[4-[butyl(ethyl)amino]-6-keto-2-methyl-5,7-dihydropteridin-8-yl]-3-methyl-benzonitrile Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=NC(=NC2=C1NC(=O)CN2C3=C(C=C(C=C3)C#N)C)C

Isomeric SMILES

CCCCN(CC)C1=NC(=NC2=C1NC(=O)CN2C3=C(C=C(C=C3)C#N)C)C

InChI

InChI=1S/C21H26N6O/c1-5-7-10-26(6-2)20-19-21(24-15(4)23-20)27(13-18(28)25-19)17-9-8-16(12-22)11-14(17)3/h8-9,11H,5-7,10,13H2,1-4H3,(H,25,28)