N-(3-methoxy-3-methyl-cyclohexa-1,4-dien-1-yl)-2,6-dipyridin-2-yl-pyrimidin-4-amine

Systemtic Name: N-(3-methoxy-3-methyl-cyclohexa-1,4-dien-1-yl)-2,6-dipyridin-2-yl-pyrimidin-4-amine Openeye Name: N-(3-methoxy-3-methyl-cyclohexa-1,4-dien-1-yl)-2,6-bis(2-pyridyl)pyrimidin-4-amine CAS Name: N-(3-methoxy-3-methyl-1-cyclohexa-1,4-dienyl)-2,6-bis(2-pyridinyl)-4-pyrimidinamine IUPAC Name: N-(3-methoxy-3-methylcyclohexa-1,4-dien-1-yl)-2,6-dipyridin-2-ylpyrimidin-4-amine Traditional Name: [2,6-bis(2-pyridyl)pyrimidin-4-yl]-(3-methoxy-3-methyl-cyclohexa-1,4-dien-1-yl)amine Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CCC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4)OC

Isomeric SMILES

CC1(C=CCC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4)OC

InChI

InChI=1S/C22H21N5O/c1-22(28-2)11-7-8-16(15-22)25-20-14-19(17-9-3-5-12-23-17)26-21(27-20)18-10-4-6-13-24-18/h3-7,9-15H,8H2,1-2H3,(H,25,26,27)