1-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(m-tolyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)amine Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C21H21N5O3/c1-13-6-5-7-15(8-13)26-21-16(11-24-26)20(22-12-23-21)25-14-9-17(27-2)19(29-4)18(10-14)28-3/h5-12H,1-4H3,(H,22,23,25)