2-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]quinazolin-4-one CAS Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[1-(4-amino-6-anilino-s-triazin-2-yl)ethylthio]quinazolin-4-one Formula: C22H21N7OS MolecularWeight: 431.51344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C22H21N7OS/c1-3-13-29-19(30)16-11-7-8-12-17(16)25-22(29)31-14(2)18-26-20(23)28-21(27-18)24-15-9-5-4-6-10-15/h3-12,14H,1,13H2,2H3,(H3,23,24,26,27,28)