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

Systemtic Name: 2-[1-[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-3-hexyl-quinazolin-4-one Openeye Name: 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-3-hexyl-quinazolin-4-one CAS Name: 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylthio]-3-hexyl-4-quinazolinone IUPAC Name: 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-3-hexylquinazolin-4-one Traditional Name: 2-[1-[4-amino-6-(dimethylamino)-s-triazin-2-yl]ethylthio]-3-hexyl-quinazolin-4-one Formula: C21H29N7OS MolecularWeight: 427.56626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C3=NC(=NC(=N3)N(C)C)N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C3=NC(=NC(=N3)N(C)C)N

InChI

InChI=1S/C21H29N7OS/c1-5-6-7-10-13-28-18(29)15-11-8-9-12-16(15)23-21(28)30-14(2)17-24-19(22)26-20(25-17)27(3)4/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H2,22,24,25,26)