N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazine-2-carboxamide

Systemtic Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazine-2-carboxamide Openeye Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazine-2-carboxamide CAS Name: N-[2-[4-(1-azepanyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazine-2-carboxamide Traditional Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazinamide Formula: C18H22N8O MolecularWeight: 366.42028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=NC3=C2C=NN3CCNC(=O)C4=NC=CN=C4

Isomeric SMILES

C1CCCN(CC1)C2=NC=NC3=C2C=NN3CCNC(=O)C4=NC=CN=C4

InChI

InChI=1S/C18H22N8O/c27-18(15-12-19-5-6-20-15)21-7-10-26-17-14(11-24-26)16(22-13-23-17)25-8-3-1-2-4-9-25/h5-6,11-13H,1-4,7-10H2,(H,21,27)