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

Systemtic Name: 1-[[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]sulfanylphenyl]methyl]imidazole-4-carbonitrile Openeye Name: 1-[[4-[2-(4-morpholinoanilino)pyrimidin-4-yl]sulfanylphenyl]methyl]imidazole-4-carbonitrile CAS Name: 1-[[4-[[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]thio]phenyl]methyl]-4-imidazolecarbonitrile IUPAC Name: 1-[[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]sulfanylphenyl]methyl]imidazole-4-carbonitrile Traditional Name: 1-[4-[[2-(4-morpholinoanilino)pyrimidin-4-yl]thio]benzyl]imidazole-4-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=C(N=C5)C#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)SC4=CC=C(C=C4)CN5C=C(N=C5)C#N

InChI

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