[4-(4-butoxyphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine

Systemtic Name: [4-(4-butoxyphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine Openeye Name: [4-(4-butoxyphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidyl]methanamine CAS Name: [4-(4-butoxyphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]methanamine IUPAC Name: [4-(4-butoxyphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine Traditional Name: [4-(4-butoxyphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidyl]methylamine Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2(CCN(CC2)C3=NC=NC4=C3C=CN4)CN

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2(CCN(CC2)C3=NC=NC4=C3C=CN4)CN

InChI

InChI=1S/C22H29N5O/c1-2-3-14-28-18-6-4-17(5-7-18)22(15-23)9-12-27(13-10-22)21-19-8-11-24-20(19)25-16-26-21/h4-8,11,16H,2-3,9-10,12-15,23H2,1H3,(H,24,25,26)