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

Systemtic Name: 6-azanyl-2-[1-(1-methyl-3-phenyl-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile Openeye Name: 6-amino-2-[1-(1-methyl-3-phenyl-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile CAS Name: 6-amino-2-[1-(1-methyl-3-phenyl-5-pyrrolo[2,3-c]pyridinyl)ethylthio]-4-pyrimidinecarbonitrile IUPAC Name: 6-amino-2-[1-(1-methyl-3-phenylpyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile Traditional Name: 6-amino-2-[1-(1-methyl-3-phenyl-pyrrolo[2,3-c]pyridin-5-yl)ethylthio]pyrimidine-4-carbonitrile Formula: C21H18N6S MolecularWeight: 386.47282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C(=CN2C)C3=CC=CC=C3)SC4=NC(=CC(=N4)N)C#N

Isomeric SMILES

CC(C1=NC=C2C(=C1)C(=CN2C)C3=CC=CC=C3)SC4=NC(=CC(=N4)N)C#N

InChI

InChI=1S/C21H18N6S/c1-13(28-21-25-15(10-22)8-20(23)26-21)18-9-16-17(14-6-4-3-5-7-14)12-27(2)19(16)11-24-18/h3-9,11-13H,1-2H3,(H2,23,25,26)