5-[2-[[3-[3-(2-methoxyethylamino)propoxy]phenyl]amino]-5-methyl-pyrimidin-4-yl]-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile

Systemtic Name: 5-[2-[[3-[3-(2-methoxyethylamino)propoxy]phenyl]amino]-5-methyl-pyrimidin-4-yl]-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile Openeye Name: 5-[2-[3-[3-(2-methoxyethylamino)propoxy]anilino]-5-methyl-pyrimidin-4-yl]-2-methylsulfanyl-4-(3-pyridyl)thiophene-3-carbonitrile CAS Name: 5-[2-[3-[3-(2-methoxyethylamino)propoxy]anilino]-5-methyl-4-pyrimidinyl]-2-(methylthio)-4-(3-pyridinyl)-3-thiophenecarbonitrile IUPAC Name: 5-[2-[3-[3-(2-methoxyethylamino)propoxy]anilino]-5-methylpyrimidin-4-yl]-2-methylsulfanyl-4-pyridin-3-ylthiophene-3-carbonitrile Traditional Name: 5-[2-[3-[3-(2-methoxyethylamino)propoxy]anilino]-5-methyl-pyrimidin-4-yl]-2-(methylthio)-4-(3-pyridyl)thiophene-3-carbonitrile Formula: C28H30N6O2S2 MolecularWeight: 546.7068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=C(C(=C(S2)SC)C#N)C3=CN=CC=C3)NC4=CC(=CC=C4)OCCCNCCOC

Isomeric SMILES

CC1=CN=C(N=C1C2=C(C(=C(S2)SC)C#N)C3=CN=CC=C3)NC4=CC(=CC=C4)OCCCNCCOC

InChI

InChI=1S/C28H30N6O2S2/c1-19-17-32-28(33-21-8-4-9-22(15-21)36-13-6-11-30-12-14-35-2)34-25(19)26-24(20-7-5-10-31-18-20)23(16-29)27(37-3)38-26/h4-5,7-10,15,17-18,30H,6,11-14H2,1-3H3,(H,32,33,34)