2-methyl-3-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-methyl-3-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-methyl-3-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 2-methyl-3-phenyl-5-[(2-pyrimidinylthio)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-methyl-3-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-methyl-3-phenyl-5-[(2-pyrimidylthio)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=CC(=O)N2N1)CSC3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=NC(=CC(=O)N2N1)CSC3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H15N5OS/c1-12-16(13-6-3-2-4-7-13)17-21-14(10-15(24)23(17)22-12)11-25-18-19-8-5-9-20-18/h2-10,22H,11H2,1H3