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

Systemtic Name: 2-[5-azanyl-3-(ethylsulfanylmethyl)-1-(2-hydroxyethyl)pyrazol-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[5-amino-3-(ethylsulfanylmethyl)-1-(2-hydroxyethyl)pyrazol-4-yl]-1H-quinazolin-4-one CAS Name: 2-[5-amino-3-[(ethylthio)methyl]-1-(2-hydroxyethyl)-4-pyrazolyl]-1H-quinazolin-4-one IUPAC Name: 2-[5-amino-3-(ethylsulfanylmethyl)-1-(2-hydroxyethyl)pyrazol-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[5-amino-3-[(ethylthio)methyl]-1-(2-hydroxyethyl)pyrazol-4-yl]-1H-quinazolin-4-one Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2S/c1-2-24-9-12-13(14(17)21(20-12)7-8-22)15-18-11-6-4-3-5-10(11)16(23)19-15/h3-6,22H,2,7-9,17H2,1H3,(H,18,19,23)