2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-7-chloranyl-3-(2-methoxyethyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-7-chloranyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-7-chloro-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Formula: C21H20ClN7O2S MolecularWeight: 469.9472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C21H20ClN7O2S/c1-31-10-9-29-18(30)15-8-7-13(22)11-16(15)25-21(29)32-12-17-26-19(23)28-20(27-17)24-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H3,23,24,26,27,28)