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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=C(C(=NN1)N)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)SCC1=C(C(=NN1)N)C2=NC(=O)C3=CC=CC=C3N2

InChI

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