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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SC3=NC4=CC=CC=C4C(=O)N3C5CC5

Isomeric SMILES

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)SC3=NC4=CC=CC=C4C(=O)N3C5CC5

InChI

InChI=1S/C22H21N7OS/c1-13(18-26-20(23)28-21(27-18)24-14-7-3-2-4-8-14)31-22-25-17-10-6-5-9-16(17)19(30)29(22)15-11-12-15/h2-10,13,15H,11-12H2,1H3,(H3,23,24,26,27,28)