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

Systemtic Name: 2-[5-azanyl-1-methyl-3-(propan-2-ylsulfanylmethyl)pyrazol-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[5-amino-3-(isopropylsulfanylmethyl)-1-methyl-pyrazol-4-yl]-1H-quinazolin-4-one CAS Name: 2-[5-amino-1-methyl-3-[(propan-2-ylthio)methyl]-4-pyrazolyl]-1H-quinazolin-4-one IUPAC Name: 2-[5-amino-1-methyl-3-(propan-2-ylsulfanylmethyl)pyrazol-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[5-amino-3-[(isopropylthio)methyl]-1-methyl-pyrazol-4-yl]-1H-quinazolin-4-one Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=NN(C(=C1C2=NC(=O)C3=CC=CC=C3N2)N)C

Isomeric SMILES

CC(C)SCC1=NN(C(=C1C2=NC(=O)C3=CC=CC=C3N2)N)C

InChI

InChI=1S/C16H19N5OS/c1-9(2)23-8-12-13(14(17)21(3)20-12)15-18-11-7-5-4-6-10(11)16(22)19-15/h4-7,9H,8,17H2,1-3H3,(H,18,19,22)