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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-3-[3-(diethylamino)propyl]quinazolin-4-one Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-3-[3-(diethylamino)propyl]quinazolin-4-one CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-3-[3-(diethylamino)propyl]-4-quinazolinone IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-3-[3-(diethylamino)propyl]quinazolin-4-one Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-3-[3-(diethylamino)propyl]quinazolin-4-one Formula: C25H30N8OS MolecularWeight: 490.6237

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CCN(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)