ethanedioic acid; 1-[2-(2-hydroxyethylamino)ethylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: ethanedioic acid; 1-[2-(2-hydroxyethylamino)ethylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-[2-(2-hydroxyethylamino)ethylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one; oxalic acid CAS Name: 1-[2-(2-hydroxyethylamino)ethylthio]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one; oxalic acid IUPAC Name: 1-[2-(2-hydroxyethylamino)ethylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one; oxalic acid Traditional Name: 1-[2-(2-hydroxyethylamino)ethylthio]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one; oxalic acid Formula: C18H23N5O6S MolecularWeight: 437.47012

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCNCCO.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCNCCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H21N5O2S.C2H2O4/c1-2-9-20-14(23)12-5-3-4-6-13(12)21-15(20)18-19-16(21)24-11-8-17-7-10-22;3-1(4)2(5)6/h3-6,17,22H,2,7-11H2,1H3;(H,3,4)(H,5,6)