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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=C(C(=NN1)N)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCSCC1=C(C(=NN1)N)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C15H17N5OS/c1-2-7-22-8-11-12(13(16)20-19-11)14-17-10-6-4-3-5-9(10)15(21)18-14/h3-6H,2,7-8H2,1H3,(H3,16,19,20)(H,17,18,21)