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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-3-propan-2-yl-quinazolin-4-one Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-3-isopropyl-quinazolin-4-one CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-3-isopropyl-quinazolin-4-one Formula: C21H21N7OS MolecularWeight: 419.50274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C21H21N7OS/c1-13(2)28-18(29)15-10-6-7-11-16(15)24-21(28)30-12-17-25-19(22)27-20(26-17)23-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H3,22,23,25,26,27)