2-azanyl-4-(3-methylpyrazol-1-yl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(3-methylpyrazol-1-yl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(3-methylpyrazol-1-yl)-6-[2-(2-pyridyl)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(3-methyl-1-pyrazolyl)-6-[2-(2-pyridinyl)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(3-methylpyrazol-1-yl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(3-methylpyrazol-1-yl)-6-[2-(2-pyridyl)ethylthio]pyrimidine-5-carbonitrile Formula: C16H15N7S MolecularWeight: 337.4022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C2=C(C(=NC(=N2)N)SCCC3=CC=CC=N3)C#N

Isomeric SMILES

CC1=NN(C=C1)C2=C(C(=NC(=N2)N)SCCC3=CC=CC=N3)C#N

InChI

InChI=1S/C16H15N7S/c1-11-5-8-23(22-11)14-13(10-17)15(21-16(18)20-14)24-9-6-12-4-2-3-7-19-12/h2-5,7-8H,6,9H2,1H3,(H2,18,20,21)