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

Systemtic Name: 1,8-bis(azanyl)-2-(4-methoxyphenyl)-6-piperidin-1-yl-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile Openeye Name: 1,8-diamino-2-(4-methoxyphenyl)-6-(1-piperidyl)-3-thioxo-2,7-naphthyridine-4,5-dicarbonitrile CAS Name: 1,8-diamino-2-(4-methoxyphenyl)-6-(1-piperidinyl)-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile IUPAC Name: 1,8-diamino-2-(4-methoxyphenyl)-6-piperidin-1-yl-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile Traditional Name: 1,8-diamino-2-(4-methoxyphenyl)-6-piperidino-3-thioxo-2,7-naphthyridine-4,5-dicarbonitrile Formula: C22H21N7OS MolecularWeight: 431.51344

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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)N4CCCCC4)C#N)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C3C(=C(C2=S)C#N)C(=C(N=C3N)N4CCCCC4)C#N)N

InChI

InChI=1S/C22H21N7OS/c1-30-14-7-5-13(6-8-14)29-20(26)18-17(16(12-24)22(29)31)15(11-23)21(27-19(18)25)28-9-3-2-4-10-28/h5-8H,2-4,9-10,26H2,1H3,(H2,25,27)