2-[[4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-3-cyclopropyl-quinazolin-4-one

Systemtic Name: 2-[[4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-3-cyclopropyl-quinazolin-4-one Openeye Name: 2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-cyclopropyl-quinazolin-4-one CAS Name: 2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methylthio]-3-cyclopropyl-4-quinazolinone IUPAC Name: 2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-cyclopropylquinazolin-4-one Traditional Name: 2-[[4-amino-6-(o-anisidino)-s-triazin-2-yl]methylthio]-3-cyclopropyl-quinazolin-4-one Formula: C22H21N7O2S MolecularWeight: 447.51284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4C(=O)N3C5CC5

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4C(=O)N3C5CC5

InChI

InChI=1S/C22H21N7O2S/c1-31-17-9-5-4-8-16(17)24-21-27-18(26-20(23)28-21)12-32-22-25-15-7-3-2-6-14(15)19(30)29(22)13-10-11-13/h2-9,13H,10-12H2,1H3,(H3,23,24,26,27,28)