N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[4-(1-azepanyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C24H31N7O3S MolecularWeight: 497.61304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=NC3=C2C=NN3CCNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

C1CCCN(CC1)C2=NC=NC3=C2C=NN3CCNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C24H31N7O3S/c32-24(19-7-9-20(10-8-19)35(33,34)30-14-5-6-15-30)25-11-16-31-23-21(17-28-31)22(26-18-27-23)29-12-3-1-2-4-13-29/h7-10,17-18H,1-6,11-16H2,(H,25,32)