4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(3-methylphenyl)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-(3-methylphenyl)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-(m-tolyl)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-(3-methylphenyl)-2-pyrimidinamine hydrochloride IUPAC Name: 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(3-methylphenyl)pyrimidin-2-amine hydrochloride Traditional Name: [4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(m-tolyl)pyrimidin-2-yl]amine hydrochloride Formula: C18H24ClN5 MolecularWeight: 345.86966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=NC(=N2)N)N3CC4CCCNC4C3.Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=NC(=N2)N)N3C[C@H]4CCCN[C@H]4C3.Cl

InChI

InChI=1S/C18H23N5.ClH/c1-12-4-2-5-13(8-12)15-9-17(22-18(19)21-15)23-10-14-6-3-7-20-16(14)11-23;/h2,4-5,8-9,14,16,20H,3,6-7,10-11H2,1H3,(H2,19,21,22);1H/t14-,16+;/m1./s1