3-[(4-azanylquinazolin-2-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-azanylquinazolin-2-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-aminoquinazolin-2-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-amino-2-quinazolinyl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-aminoquinazolin-2-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-aminoquinazolin-2-yl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C15H18N6O2S MolecularWeight: 346.40742

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C15H18N6O2S/c1-23-8-4-7-21-14(22)19-20-15(21)24-9-12-17-11-6-3-2-5-10(11)13(16)18-12/h2-3,5-6H,4,7-9H2,1H3,(H,19,22)(H2,16,17,18)