3-[2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C25H31N8OS+ MolecularWeight: 491.63164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C25H30N8OS/c1-3-32(4-2)15-10-16-33-22(34)19-13-8-9-14-20(19)28-25(33)35-17-21-29-23(26)31-24(30-21)27-18-11-6-5-7-12-18/h5-9,11-14H,3-4,10,15-17H2,1-2H3,(H3,26,27,29,30,31)/p+1