N-cyclohexyl-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

Systemtic Name: N-cyclohexyl-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide Openeye Name: N-cyclohexyl-4-(3-quinolylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide CAS Name: N-cyclohexyl-4-(3-quinolinylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide IUPAC Name: N-cyclohexyl-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide Traditional Name: N-cyclohexyl-4-(3-quinolylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide Formula: C22H24N6O MolecularWeight: 388.46556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CC3=C(C2)N=CN=C3NC4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CC3=C(C2)N=CN=C3NC4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C22H24N6O/c29-22(27-16-7-2-1-3-8-16)28-12-18-20(13-28)24-14-25-21(18)26-17-10-15-6-4-5-9-19(15)23-11-17/h4-6,9-11,14,16H,1-3,7-8,12-13H2,(H,27,29)(H,24,25,26)