3-[2-(ethylamino)-8-methyl-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[2-(ethylamino)-8-methyl-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[2-(ethylamino)-8-methyl-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[2-(ethylamino)-8-methyl-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[2-(ethylamino)-8-methyl-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[2-(ethylamino)-7-keto-8-methyl-pteridin-6-yl]benzonitrile Formula: C16H14N6O MolecularWeight: 306.32196

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=CC(=C3)C#N)C

Isomeric SMILES

CCNC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C16H14N6O/c1-3-18-16-19-9-12-14(21-16)22(2)15(23)13(20-12)11-6-4-5-10(7-11)8-17/h4-7,9H,3H2,1-2H3,(H,18,19,21)