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

Systemtic Name: 1,8-bis(azanyl)-2-(4-methylphenyl)-6-morpholin-4-yl-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile Openeye Name: 1,8-diamino-6-morpholino-2-(p-tolyl)-3-thioxo-2,7-naphthyridine-4,5-dicarbonitrile CAS Name: 1,8-diamino-2-(4-methylphenyl)-6-(4-morpholinyl)-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile IUPAC Name: 1,8-diamino-2-(4-methylphenyl)-6-morpholin-4-yl-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile Traditional Name: 1,8-diamino-6-morpholino-2-(p-tolyl)-3-thioxo-2,7-naphthyridine-4,5-dicarbonitrile Formula: C21H19N7OS MolecularWeight: 417.48686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C3C(=C(C2=S)C#N)C(=C(N=C3N)N4CCOCC4)C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C3C(=C(C2=S)C#N)C(=C(N=C3N)N4CCOCC4)C#N)N

InChI

InChI=1S/C21H19N7OS/c1-12-2-4-13(5-3-12)28-19(25)17-16(15(11-23)21(28)30)14(10-22)20(26-18(17)24)27-6-8-29-9-7-27/h2-5H,6-9,25H2,1H3,(H2,24,26)