2-[cycloheptyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethylcarbamic acid

Systemtic Name: 2-[cycloheptyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethylcarbamic acid Openeye Name: 2-[cycloheptyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethylcarbamic acid CAS Name: 2-[cycloheptyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethylcarbamic acid IUPAC Name: 2-[cycloheptyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethylcarbamic acid Traditional Name: 2-[cycloheptyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethylcarbamic acid Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N(CCNC(=O)O)C2=NC=NC3=C2C=CN3

Isomeric SMILES

C1CCCC(CC1)N(CCNC(=O)O)C2=NC=NC3=C2C=CN3

InChI

InChI=1S/C16H23N5O2/c22-16(23)18-9-10-21(12-5-3-1-2-4-6-12)15-13-7-8-17-14(13)19-11-20-15/h7-8,11-12,18H,1-6,9-10H2,(H,22,23)(H,17,19,20)