4-[[[2-(5-methylpyridin-3-yl)-4-oxidanylidene-pteridin-3-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[2-(5-methylpyridin-3-yl)-4-oxidanylidene-pteridin-3-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[2-(5-methyl-3-pyridyl)-4-oxo-pteridin-3-yl]amino]methyl]benzonitrile CAS Name: 4-[[[2-(5-methyl-3-pyridinyl)-4-oxo-3-pteridinyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[2-(5-methylpyridin-3-yl)-4-oxopteridin-3-yl]amino]methyl]benzonitrile Traditional Name: 4-[[[4-keto-2-(5-methyl-3-pyridyl)pteridin-3-yl]amino]methyl]benzonitrile Formula: C20H15N7O MolecularWeight: 369.3794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=CC(=C1)C2=NC3=NC=CN=C3C(=O)N2NCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CN=CC(=C1)C2=NC3=NC=CN=C3C(=O)N2NCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H15N7O/c1-13-8-16(12-22-10-13)19-26-18-17(23-6-7-24-18)20(28)27(19)25-11-15-4-2-14(9-21)3-5-15/h2-8,10,12,25H,11H2,1H3