7-tert-butyl-5-(4-phenylsulfanylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-tert-butyl-5-(4-phenylsulfanylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-tert-butyl-5-(4-phenylsulfanylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-tert-butyl-5-[4-(phenylthio)phenyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-tert-butyl-5-(4-phenylsulfanylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-tert-butyl-5-[4-(phenylthio)phenyl]pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C22H22N4S MolecularWeight: 374.50188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H22N4S/c1-22(2,3)26-13-18(19-20(23)24-14-25-21(19)26)15-9-11-17(12-10-15)27-16-7-5-4-6-8-16/h4-14H,1-3H3,(H2,23,24,25)