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

Systemtic Name: 5-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-3-methyl-1-phenyl-pyrazole-4-carbaldehyde Openeye Name: 5-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-methyl-1-phenyl-pyrazole-4-carbaldehyde CAS Name: 5-[(4,6-diamino-2-pyrimidinyl)thio]-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde IUPAC Name: 5-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-methyl-1-phenylpyrazole-4-carbaldehyde Traditional Name: 5-[(4,6-diaminopyrimidin-2-yl)thio]-3-methyl-1-phenyl-pyrazole-4-carbaldehyde Formula: C15H14N6OS MolecularWeight: 326.37626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)SC2=NC(=CC(=N2)N)N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C=O)SC2=NC(=CC(=N2)N)N)C3=CC=CC=C3

InChI

InChI=1S/C15H14N6OS/c1-9-11(8-22)14(21(20-9)10-5-3-2-4-6-10)23-15-18-12(16)7-13(17)19-15/h2-8H,1H3,(H4,16,17,18,19)