3-ethyl-8-[[2-(4-oxidanylbutylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione

Systemtic Name: 3-ethyl-8-[[2-(4-oxidanylbutylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione Openeye Name: 3-ethyl-8-[[2-(4-hydroxybutylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione CAS Name: 3-ethyl-8-[[2-(4-hydroxybutylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione IUPAC Name: 3-ethyl-8-[[2-(4-hydroxybutylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione Traditional Name: 3-ethyl-8-[[2-(4-hydroxybutylamino)benzyl]amino]-1H-imidazo[4,5-g]quinazoline-2-thione Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4NCCCCO)NC1=S

Isomeric SMILES

CCN1C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4NCCCCO)NC1=S

InChI

InChI=1S/C22H26N6OS/c1-2-28-20-12-18-16(11-19(20)27-22(28)30)21(26-14-25-18)24-13-15-7-3-4-8-17(15)23-9-5-6-10-29/h3-4,7-8,11-12,14,23,29H,2,5-6,9-10,13H2,1H3,(H,27,30)(H,24,25,26)