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

Systemtic Name: 1,8-bis(azanyl)-2-(4-butan-2-ylphenyl)-6-piperidin-1-yl-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile Openeye Name: 1,8-diamino-6-(1-piperidyl)-2-(4-sec-butylphenyl)-3-thioxo-2,7-naphthyridine-4,5-dicarbonitrile CAS Name: 1,8-diamino-2-(4-butan-2-ylphenyl)-6-(1-piperidinyl)-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile IUPAC Name: 1,8-diamino-2-(4-butan-2-ylphenyl)-6-piperidin-1-yl-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile Traditional Name: 1,8-diamino-6-piperidino-2-(4-sec-butylphenyl)-3-thioxo-2,7-naphthyridine-4,5-dicarbonitrile Formula: C25H27N7S MolecularWeight: 457.59378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N7S/c1-3-15(2)16-7-9-17(10-8-16)32-23(29)21-20(19(14-27)25(32)33)18(13-26)24(30-22(21)28)31-11-5-4-6-12-31/h7-10,15H,3-6,11-12,29H2,1-2H3,(H2,28,30)