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

Systemtic Name: 1,8-bis(azanyl)-2-(4-methoxyphenyl)-6-morpholin-4-yl-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile Openeye Name: 1,8-diamino-2-(4-methoxyphenyl)-6-morpholino-3-thioxo-2,7-naphthyridine-4,5-dicarbonitrile CAS Name: 1,8-diamino-2-(4-methoxyphenyl)-6-(4-morpholinyl)-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile IUPAC Name: 1,8-diamino-2-(4-methoxyphenyl)-6-morpholin-4-yl-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile Traditional Name: 1,8-diamino-2-(4-methoxyphenyl)-6-morpholino-3-thioxo-2,7-naphthyridine-4,5-dicarbonitrile Formula: C21H19N7O2S MolecularWeight: 433.48626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C3C(=C(C2=S)C#N)C(=C(N=C3N)N4CCOCC4)C#N)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C3C(=C(C2=S)C#N)C(=C(N=C3N)N4CCOCC4)C#N)N

InChI

InChI=1S/C21H19N7O2S/c1-29-13-4-2-12(3-5-13)28-19(25)17-16(15(11-23)21(28)31)14(10-22)20(26-18(17)24)27-6-8-30-9-7-27/h2-5H,6-9,25H2,1H3,(H2,24,26)