heptyl 4-[4-(2-methylpyridin-3-yl)oxypyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate

Systemtic Name: heptyl 4-[4-(2-methylpyridin-3-yl)oxypyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate Openeye Name: heptyl 4-[4-[(2-methyl-3-pyridyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(2-methyl-3-pyridinyl)oxy]-7-pyrrolo[2,3-d]pyrimidinyl]-1-piperidinecarboxylic acid heptyl ester IUPAC Name: heptyl 4-[4-(2-methylpyridin-3-yl)oxypyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(2-methyl-3-pyridyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid heptyl ester Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)N1CCC(CC1)N2C=CC3=C2N=CN=C3OC4=C(N=CC=C4)C

Isomeric SMILES

CCCCCCCOC(=O)N1CCC(CC1)N2C=CC3=C2N=CN=C3OC4=C(N=CC=C4)C

InChI

InChI=1S/C25H33N5O3/c1-3-4-5-6-7-17-32-25(31)29-14-10-20(11-15-29)30-16-12-21-23(30)27-18-28-24(21)33-22-9-8-13-26-19(22)2/h8-9,12-13,16,18,20H,3-7,10-11,14-15,17H2,1-2H3