3-[5-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propionamide Formula: C20H24N6O3S MolecularWeight: 428.50796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3CC4CCCO4)CCC(=O)N

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3CC4CCCO4)CCC(=O)N

InChI

InChI=1S/C20H24N6O3S/c1-12-4-2-6-14-18(12)22-16(23-19(14)28)11-30-20-25-24-17(8-7-15(21)27)26(20)10-13-5-3-9-29-13/h2,4,6,13H,3,5,7-11H2,1H3,(H2,21,27)(H,22,23,28)