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

Systemtic Name: 3-ethyl-8-[[2-(3-oxidanylpropylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione Openeye Name: 3-ethyl-8-[[2-(3-hydroxypropylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione CAS Name: 3-ethyl-8-[[2-(3-hydroxypropylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione IUPAC Name: 3-ethyl-8-[[2-(3-hydroxypropylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione Traditional Name: 3-ethyl-8-[[2-(3-hydroxypropylamino)benzyl]amino]-1H-imidazo[4,5-g]quinazoline-2-thione Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4NCCCO)NC1=S

Isomeric SMILES

CCN1C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4NCCCO)NC1=S

InChI

InChI=1S/C21H24N6OS/c1-2-27-19-11-17-15(10-18(19)26-21(27)29)20(25-13-24-17)23-12-14-6-3-4-7-16(14)22-8-5-9-28/h3-4,6-7,10-11,13,22,28H,2,5,8-9,12H2,1H3,(H,26,29)(H,23,24,25)