4-azanyl-N-[(5-methylpyrazin-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Systemtic Name: 4-azanyl-N-[(5-methylpyrazin-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: 4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide CAS Name: 4-amino-N-[(5-methyl-2-pyrazinyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxamide IUPAC Name: 4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: 4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)isonipecotamide Formula: C18H22N8O MolecularWeight: 366.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)CNC(=O)C2(CCN(CC2)C3=NC=NC4=C3C=CN4)N

Isomeric SMILES

CC1=CN=C(C=N1)CNC(=O)C2(CCN(CC2)C3=NC=NC4=C3C=CN4)N

InChI

InChI=1S/C18H22N8O/c1-12-8-22-13(9-21-12)10-23-17(27)18(19)3-6-26(7-4-18)16-14-2-5-20-15(14)24-11-25-16/h2,5,8-9,11H,3-4,6-7,10,19H2,1H3,(H,23,27)(H,20,24,25)