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

Systemtic Name: 3-[3-[(4-azanylquinazolin-2-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(4-amino-2-quinazolinyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(4-aminoquinazolin-2-yl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C17H19N7OS MolecularWeight: 369.44406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C17H19N7OS/c18-13(25)7-8-24-16(10-5-6-10)22-23-17(24)26-9-14-20-12-4-2-1-3-11(12)15(19)21-14/h1-4,10H,5-9H2,(H2,18,25)(H2,19,20,21)