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

Systemtic Name: 6-azanyl-2-[1-(3-ethyl-1-methyl-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile Openeye Name: 6-amino-2-[1-(3-ethyl-1-methyl-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile CAS Name: 6-amino-2-[1-(3-ethyl-1-methyl-5-pyrrolo[2,3-c]pyridinyl)ethylthio]-4-pyrimidinecarbonitrile IUPAC Name: 6-amino-2-[1-(3-ethyl-1-methylpyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile Traditional Name: 6-amino-2-[1-(3-ethyl-1-methyl-pyrrolo[2,3-c]pyridin-5-yl)ethylthio]pyrimidine-4-carbonitrile Formula: C17H18N6S MolecularWeight: 338.43002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C2=CN=C(C=C21)C(C)SC3=NC(=CC(=N3)N)C#N)C

Isomeric SMILES

CCC1=CN(C2=CN=C(C=C21)C(C)SC3=NC(=CC(=N3)N)C#N)C

InChI

InChI=1S/C17H18N6S/c1-4-11-9-23(3)15-8-20-14(6-13(11)15)10(2)24-17-21-12(7-18)5-16(19)22-17/h5-6,8-10H,4H2,1-3H3,(H2,19,21,22)