3-[5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-4-isobutyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(4-amino-2-quinazolinyl)methylthio]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-aminoquinazolin-2-yl)methylthio]-4-isobutyl-1,2,4-triazol-3-yl]propionamide Formula: C18H23N7OS MolecularWeight: 385.48652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)CCC(=O)N

InChI

InChI=1S/C18H23N7OS/c1-11(2)9-25-16(8-7-14(19)26)23-24-18(25)27-10-15-21-13-6-4-3-5-12(13)17(20)22-15/h3-6,11H,7-10H2,1-2H3,(H2,19,26)(H2,20,21,22)