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

Systemtic Name: 6-azanyl-2-[1-(3-bromanyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile Openeye Name: 6-amino-2-[1-(3-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile CAS Name: 6-amino-2-[1-(3-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylthio]-4-pyrimidinecarbonitrile IUPAC Name: 6-amino-2-[1-(3-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile Traditional Name: 6-amino-2-[1-(3-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylthio]pyrimidine-4-carbonitrile Formula: C14H11BrN6S MolecularWeight: 375.24634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrN6S/c1-7(22-14-20-8(4-16)2-13(17)21-14)11-3-9-10(15)5-18-12(9)6-19-11/h2-3,5-7,18H,1H3,(H2,17,20,21)