CC1(C)OC[C@H](COc2ccc(-c3c(C#N)c(N)nc(Sc4ccccc4)c3C#N)cc2)O1

Nombre: compound

IUPAC: 2-amino-4-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile

SMILES: CC1(C)OC[C@H](COc2ccc(-c3c(C#N)c(N)nc(Sc4ccccc4)c3C#N)cc2)O1

Canonical SMILES: CC1(OCC(O1)COC2=CC=C(C=C2)C3=C(C(=NC(=C3C#N)SC4=CC=CC=C4)N)C#N)C

Fórmula molecular: C25H22N4O3S

Masa molecular: 458.50

InChIKey: KIACBVXFYYZHQS-SFHVURJKSA-N

InChI:

InChI=1S/C25H22N4O3S/c1-25(2)31-15-18(32-25)14-30-17-10-8-16(9-11-17)22-20(12-26)23(28)29-24(21(22)13-27)33-19-6-4-3-5-7-19/h3-11,18H,14-15H2,1-2H3,(H2,28,29)/t18-/m0/s1

PubChem CID: 67215369 →

Sinónimos

SCHEMBL1930482KIACBVXFYYZHQS-SFHVURJKSA-N2-Amino-4-(4-{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}-phenyl)-6-(phenylthio)pyridine-3,5-dicarbonitrile2-Amino-4-(4-{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}phenyl)-6-(phenylthio)pyridine-3,5-dicarbonitrile

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