5-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C16H15N7S MolecularWeight: 337.4022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC(=CC(=N2)N)N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC(=CC(=N2)N)N)C3=CC=CC=C3

InChI

InChI=1S/C16H15N7S/c1-10-12(8-17)13(23(22-10)11-5-3-2-4-6-11)9-24-16-20-14(18)7-15(19)21-16/h2-7H,9H2,1H3,(H4,18,19,20,21)