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

Systemtic Name: 4-(7-methyl-1-propyl-pyrrolo[3,2-b]pyridin-3-yl)-N-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine Openeye Name: 4-(7-methyl-1-propyl-pyrrolo[3,2-b]pyridin-3-yl)-N-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine CAS Name: 4-(7-methyl-1-propyl-3-pyrrolo[3,2-b]pyridinyl)-N-[4-(1-piperazinylsulfonyl)phenyl]-2-pyrimidinamine IUPAC Name: 4-(7-methyl-1-propylpyrrolo[3,2-b]pyridin-3-yl)-N-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine Traditional Name: [4-(7-methyl-1-propyl-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-yl]-(4-piperazinosulfonylphenyl)amine Formula: C25H29N7O2S MolecularWeight: 491.60846

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=NC=CC(=C21)C)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)N5CCNCC5

Isomeric SMILES

CCCN1C=C(C2=NC=CC(=C21)C)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)N5CCNCC5

InChI

InChI=1S/C25H29N7O2S/c1-3-14-31-17-21(23-24(31)18(2)8-10-27-23)22-9-11-28-25(30-22)29-19-4-6-20(7-5-19)35(33,34)32-15-12-26-13-16-32/h4-11,17,26H,3,12-16H2,1-2H3,(H,28,29,30)