4-(5-chloranyl-7-methyl-3a-propyl-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)-N-(3-piperazin-1-ylphenyl)pyrimidin-2-amine

Systemtic Name: 4-(5-chloranyl-7-methyl-3a-propyl-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)-N-(3-piperazin-1-ylphenyl)pyrimidin-2-amine Openeye Name: 4-(5-chloro-7-methyl-3a-propyl-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)-N-(3-piperazin-1-ylphenyl)pyrimidin-2-amine CAS Name: 4-(5-chloro-7-methyl-3a-propyl-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)-N-[3-(1-piperazinyl)phenyl]-2-pyrimidinamine IUPAC Name: 4-(5-chloro-7-methyl-3a-propyl-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)-N-(3-piperazin-1-ylphenyl)pyrimidin-2-amine Traditional Name: [4-(5-chloro-7-methyl-3a-propyl-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-yl]-(3-piperazinophenyl)amine Formula: C25H30ClN7 MolecularWeight: 464.0056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12C(=CNC1=C(C=C(N2)Cl)C)C3=NC(=NC=C3)NC4=CC=CC(=C4)N5CCNCC5

Isomeric SMILES

CCCC12C(=CNC1=C(C=C(N2)Cl)C)C3=NC(=NC=C3)NC4=CC=CC(=C4)N5CCNCC5

InChI

InChI=1S/C25H30ClN7/c1-3-8-25-20(16-29-23(25)17(2)14-22(26)32-25)21-7-9-28-24(31-21)30-18-5-4-6-19(15-18)33-12-10-27-11-13-33/h4-7,9,14-16,27,29,32H,3,8,10-13H2,1-2H3,(H,28,30,31)