5-butyl-7-(3-methylphenyl)-N-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-butyl-7-(3-methylphenyl)-N-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-butyl-7-(m-tolyl)-N-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-butyl-7-(3-methylphenyl)-N-(4-oxanyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-butyl-7-(3-methylphenyl)-N-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5-butyl-7-(m-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]-tetrahydropyran-4-yl-amine Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C1C(=NC=N2)NC3CCOCC3)C4=CC=CC(=C4)C

Isomeric SMILES

CCCCC1=CN(C2=C1C(=NC=N2)NC3CCOCC3)C4=CC=CC(=C4)C

InChI

InChI=1S/C22H28N4O/c1-3-4-7-17-14-26(19-8-5-6-16(2)13-19)22-20(17)21(23-15-24-22)25-18-9-11-27-12-10-18/h5-6,8,13-15,18H,3-4,7,9-12H2,1-2H3,(H,23,24,25)