3-(2-morpholin-4-yl-7-oxidanylidene-6-phenethyl-pteridin-8-yl)propanenitrile

Systemtic Name: 3-(2-morpholin-4-yl-7-oxidanylidene-6-phenethyl-pteridin-8-yl)propanenitrile Openeye Name: 3-(2-morpholino-7-oxo-6-phenethyl-pteridin-8-yl)propanenitrile CAS Name: 3-[2-(4-morpholinyl)-7-oxo-6-phenethyl-8-pteridinyl]propanenitrile IUPAC Name: 3-(2-morpholin-4-yl-7-oxo-6-phenethylpteridin-8-yl)propanenitrile Traditional Name: 3-(7-keto-2-morpholino-6-phenethyl-pteridin-8-yl)propionitrile Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C3C(=N2)N(C(=O)C(=N3)CCC4=CC=CC=C4)CCC#N

Isomeric SMILES

C1COCCN1C2=NC=C3C(=N2)N(C(=O)C(=N3)CCC4=CC=CC=C4)CCC#N

InChI

InChI=1S/C21H22N6O2/c22-9-4-10-27-19-18(15-23-21(25-19)26-11-13-29-14-12-26)24-17(20(27)28)8-7-16-5-2-1-3-6-16/h1-3,5-6,15H,4,7-8,10-14H2