1,8-bis(azanyl)-2-(4-ethoxyphenyl)-6-morpholin-4-yl-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile

Systemtic Name: 1,8-bis(azanyl)-2-(4-ethoxyphenyl)-6-morpholin-4-yl-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile Openeye Name: 1,8-diamino-2-(4-ethoxyphenyl)-6-morpholino-3-thioxo-2,7-naphthyridine-4,5-dicarbonitrile CAS Name: 1,8-diamino-2-(4-ethoxyphenyl)-6-(4-morpholinyl)-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile IUPAC Name: 1,8-diamino-2-(4-ethoxyphenyl)-6-morpholin-4-yl-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile Traditional Name: 1,8-diamino-6-morpholino-2-p-phenetyl-3-thioxo-2,7-naphthyridine-4,5-dicarbonitrile Formula: C22H21N7O2S MolecularWeight: 447.51284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C(=C(C2=S)C#N)C(=C(N=C3N)N4CCOCC4)C#N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C3C(=C(C2=S)C#N)C(=C(N=C3N)N4CCOCC4)C#N)N

InChI

InChI=1S/C22H21N7O2S/c1-2-31-14-5-3-13(4-6-14)29-20(26)18-17(16(12-24)22(29)32)15(11-23)21(27-19(18)25)28-7-9-30-10-8-28/h3-6H,2,7-10,26H2,1H3,(H2,25,27)