4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-phenyl-pyrimidin-2-amine hydrochloride

Systemtic Name: 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-phenyl-pyrimidin-2-amine hydrochloride Openeye Name: 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-phenyl-pyrimidin-2-amine hydrochloride CAS Name: 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-phenyl-2-pyrimidinamine hydrochloride IUPAC Name: 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-phenylpyrimidin-2-amine hydrochloride Traditional Name: [4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-phenyl-pyrimidin-2-yl]amine hydrochloride Formula: C17H22ClN5 MolecularWeight: 331.84308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(CC2NC1)C3=NC(=NC(=C3)C4=CC=CC=C4)N.Cl

Isomeric SMILES

C1C[C@@H]2CN(C[C@@H]2NC1)C3=NC(=NC(=C3)C4=CC=CC=C4)N.Cl

InChI

InChI=1S/C17H21N5.ClH/c18-17-20-14(12-5-2-1-3-6-12)9-16(21-17)22-10-13-7-4-8-19-15(13)11-22;/h1-3,5-6,9,13,15,19H,4,7-8,10-11H2,(H2,18,20,21);1H/t13-,15+;/m1./s1