1-[[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]sulfanylphenyl]methyl]imidazole-2-carbonitrile

Systemtic Name: 1-[[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]sulfanylphenyl]methyl]imidazole-2-carbonitrile Openeye Name: 1-[[4-[2-(4-morpholinoanilino)pyrimidin-4-yl]sulfanylphenyl]methyl]imidazole-2-carbonitrile CAS Name: 1-[[4-[[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]thio]phenyl]methyl]-2-imidazolecarbonitrile IUPAC Name: 1-[[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]sulfanylphenyl]methyl]imidazole-2-carbonitrile Traditional Name: 1-[4-[[2-(4-morpholinoanilino)pyrimidin-4-yl]thio]benzyl]imidazole-2-carbonitrile Formula: C25H23N7OS MolecularWeight: 469.56142

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)SC4=CC=C(C=C4)CN5C=CN=C5C#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)SC4=CC=C(C=C4)CN5C=CN=C5C#N

InChI

InChI=1S/C25H23N7OS/c26-17-23-27-11-12-32(23)18-19-1-7-22(8-2-19)34-24-9-10-28-25(30-24)29-20-3-5-21(6-4-20)31-13-15-33-16-14-31/h1-12H,13-16,18H2,(H,28,29,30)