2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-7-chloranyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-7-chloranyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-7-chloro-quinazolin-4-one CAS Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylthio]-7-chloro-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-7-chloro-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methylthio]-7-chloro-quinazolin-4-one Formula: C22H20ClN7OS MolecularWeight: 465.9585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C

InChI

InChI=1S/C22H20ClN7OS/c1-3-10-30-19(31)15-9-8-14(23)11-17(15)26-22(30)32-12-18-27-20(24)29-21(28-18)25-16-7-5-4-6-13(16)2/h3-9,11H,1,10,12H2,2H3,(H3,24,25,27,28,29)