3-[6-(1-methylindol-3-yl)-2-morpholin-4-yl-7-oxidanylidene-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[6-(1-methylindol-3-yl)-2-morpholin-4-yl-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[6-(1-methylindol-3-yl)-2-morpholino-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(1-methyl-3-indolyl)-2-(4-morpholinyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(1-methylindol-3-yl)-2-morpholin-4-yl-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-6-(1-methylindol-3-yl)-2-morpholino-pteridin-8-yl]propionitrile Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=NC4=CN=C(N=C4N(C3=O)CCC#N)N5CCOCC5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=NC4=CN=C(N=C4N(C3=O)CCC#N)N5CCOCC5

InChI

InChI=1S/C22H21N7O2/c1-27-14-16(15-5-2-3-6-18(15)27)19-21(30)29(8-4-7-23)20-17(25-19)13-24-22(26-20)28-9-11-31-12-10-28/h2-3,5-6,13-14H,4,8-12H2,1H3