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

Systemtic Name: 2-[5-azanyl-1-(2-hydroxyethyl)-3-(propylsulfanylmethyl)pyrazol-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[5-amino-1-(2-hydroxyethyl)-3-(propylsulfanylmethyl)pyrazol-4-yl]-1H-quinazolin-4-one CAS Name: 2-[5-amino-1-(2-hydroxyethyl)-3-[(propylthio)methyl]-4-pyrazolyl]-1H-quinazolin-4-one IUPAC Name: 2-[5-amino-1-(2-hydroxyethyl)-3-(propylsulfanylmethyl)pyrazol-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[5-amino-1-(2-hydroxyethyl)-3-[(propylthio)methyl]pyrazol-4-yl]-1H-quinazolin-4-one Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=NN(C(=C1C2=NC(=O)C3=CC=CC=C3N2)N)CCO

Isomeric SMILES

CCCSCC1=NN(C(=C1C2=NC(=O)C3=CC=CC=C3N2)N)CCO

InChI

InChI=1S/C17H21N5O2S/c1-2-9-25-10-13-14(15(18)22(21-13)7-8-23)16-19-12-6-4-3-5-11(12)17(24)20-16/h3-6,23H,2,7-10,18H2,1H3,(H,19,20,24)