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

Systemtic Name: 4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine Openeye Name: 4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine CAS Name: 4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)-N-[3-(1-piperazinylsulfonyl)phenyl]-2-pyrimidinamine IUPAC Name: 4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine Traditional Name: [4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-(3-piperazinosulfonylphenyl)amine Formula: C24H29N7O2S MolecularWeight: 479.59776

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12C(=CC=CN1)C(=CN2)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N5CCNCC5

Isomeric SMILES

CCCC12C(=CC=CN1)C(=CN2)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N5CCNCC5

InChI

InChI=1S/C24H29N7O2S/c1-2-9-24-21(7-4-10-27-24)20(17-28-24)22-8-11-26-23(30-22)29-18-5-3-6-19(16-18)34(32,33)31-14-12-25-13-15-31/h3-8,10-11,16-17,25,27-28H,2,9,12-15H2,1H3,(H,26,29,30)