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

Systemtic Name: 4-azanyl-N-[(5-chloranylthiophen-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: 4-amino-N-[(5-chloro-2-thienyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide CAS Name: 4-amino-N-[(5-chloro-2-thiophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxamide IUPAC Name: 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: 4-amino-N-[(5-chloro-2-thienyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)isonipecotamide Formula: C17H19ClN6OS MolecularWeight: 390.89036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)NCC2=CC=C(S2)Cl)N)C3=NC=NC4=C3C=CN4

Isomeric SMILES

C1CN(CCC1(C(=O)NCC2=CC=C(S2)Cl)N)C3=NC=NC4=C3C=CN4

InChI

InChI=1S/C17H19ClN6OS/c18-13-2-1-11(26-13)9-21-16(25)17(19)4-7-24(8-5-17)15-12-3-6-20-14(12)22-10-23-15/h1-3,6,10H,4-5,7-9,19H2,(H,21,25)(H,20,22,23)