2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one Openeye Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(3-pyridylmethyl)quinazolin-4-one CAS Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylthio]-3-(3-pyridinylmethyl)-4-quinazolinone IUPAC Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one Traditional Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylthio]-3-(3-pyridylmethyl)quinazolin-4-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

CCCCC1=NOC(=N1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-2-3-10-18-24-19(28-25-18)14-29-21-23-17-9-5-4-8-16(17)20(27)26(21)13-15-7-6-11-22-12-15/h4-9,11-12H,2-3,10,13-14H2,1H3