6-azanyl-2-[1-(3-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile

Systemtic Name: 6-azanyl-2-[1-(3-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile Openeye Name: 6-amino-2-[1-(3-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile CAS Name: 6-amino-2-[1-(3-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylthio]-4-pyrimidinecarbonitrile IUPAC Name: 6-amino-2-[1-(3-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile Traditional Name: 6-amino-2-[1-(3-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylthio]pyrimidine-4-carbonitrile Formula: C18H20N6S MolecularWeight: 352.4566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C(=CN2)C(C)(C)C)SC3=NC(=CC(=N3)N)C#N

Isomeric SMILES

CC(C1=NC=C2C(=C1)C(=CN2)C(C)(C)C)SC3=NC(=CC(=N3)N)C#N

InChI

InChI=1S/C18H20N6S/c1-10(25-17-23-11(7-19)5-16(20)24-17)14-6-12-13(18(2,3)4)8-21-15(12)9-22-14/h5-6,8-10,21H,1-4H3,(H2,20,23,24)