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

Systemtic Name: 3-[8-(2-cyanoethyl)-2-(ethylamino)-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-cyanoethyl)-2-(ethylamino)-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[8-(2-cyanoethyl)-2-(ethylamino)-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[8-(2-cyanoethyl)-2-(ethylamino)-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[8-(2-cyanoethyl)-2-(ethylamino)-7-keto-pteridin-6-yl]benzonitrile Formula: C18H15N7O MolecularWeight: 345.358

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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)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H15N7O/c1-2-21-18-22-11-14-16(24-18)25(8-4-7-19)17(26)15(23-14)13-6-3-5-12(9-13)10-20/h3,5-6,9,11H,2,4,8H2,1H3,(H,21,22,24)