2-[5-azanyl-3-(ethylsulfanylmethyl)-1-methyl-pyrazol-4-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[5-azanyl-3-(ethylsulfanylmethyl)-1-methyl-pyrazol-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[5-amino-3-(ethylsulfanylmethyl)-1-methyl-pyrazol-4-yl]-1H-quinazolin-4-one CAS Name: 2-[5-amino-3-[(ethylthio)methyl]-1-methyl-4-pyrazolyl]-1H-quinazolin-4-one IUPAC Name: 2-[5-amino-3-(ethylsulfanylmethyl)-1-methylpyrazol-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[5-amino-3-[(ethylthio)methyl]-1-methyl-pyrazol-4-yl]-1H-quinazolin-4-one Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=NN(C(=C1C2=NC(=O)C3=CC=CC=C3N2)N)C

Isomeric SMILES

CCSCC1=NN(C(=C1C2=NC(=O)C3=CC=CC=C3N2)N)C

InChI

InChI=1S/C15H17N5OS/c1-3-22-8-11-12(13(16)20(2)19-11)14-17-10-7-5-4-6-9(10)15(21)18-14/h4-7H,3,8,16H2,1-2H3,(H,17,18,21)