5,6-dimethyl-3-(phenylmethyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-imine

Systemtic Name: 5,6-dimethyl-3-(phenylmethyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-imine Openeye Name: 3-benzyl-5,6-dimethyl-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-4-imine CAS Name: 5,6-dimethyl-3-(phenylmethyl)-7-(3-pyridinylmethyl)-4-pyrrolo[2,3-d]pyrimidinimine IUPAC Name: 3-benzyl-5,6-dimethyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-imine Traditional Name: [3-benzyl-5,6-dimethyl-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-4-ylidene]amine Formula: C21H21N5 MolecularWeight: 343.42494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=N)N(C=N2)CC3=CC=CC=C3)CC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=N)N(C=N2)CC3=CC=CC=C3)CC4=CN=CC=C4)C

InChI

InChI=1S/C21H21N5/c1-15-16(2)26(13-18-9-6-10-23-11-18)21-19(15)20(22)25(14-24-21)12-17-7-4-3-5-8-17/h3-11,14,22H,12-13H2,1-2H3