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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C2C(=NC=C1)C(=CN2)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N5CCNCC5

Isomeric SMILES

CCC(C)C1=C2C(=NC=C1)C(=CN2)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N5CCNCC5

InChI

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