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

Systemtic Name: 6-azanyl-2-[1-(3-phenyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile Openeye Name: 6-amino-2-[1-(3-phenyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile CAS Name: 6-amino-2-[1-(3-phenyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylthio]-4-pyrimidinecarbonitrile IUPAC Name: 6-amino-2-[1-(3-phenyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile Traditional Name: 6-amino-2-[1-(3-phenyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylthio]pyrimidine-4-carbonitrile Formula: C20H16N6S MolecularWeight: 372.44624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C(=CN2)C3=CC=CC=C3)SC4=NC(=CC(=N4)N)C#N

Isomeric SMILES

CC(C1=NC=C2C(=C1)C(=CN2)C3=CC=CC=C3)SC4=NC(=CC(=N4)N)C#N

InChI

InChI=1S/C20H16N6S/c1-12(27-20-25-14(9-21)7-19(22)26-20)17-8-15-16(10-23-18(15)11-24-17)13-5-3-2-4-6-13/h2-8,10-12,23H,1H3,(H2,22,25,26)