N1-(3-ethynylphenyl)-6-methyl-N5-[3-[6-(methylamino)pyrimidin-4-yl]pyridin-2-yl]isoquinoline-1,5-diamine

Systemtic Name: N1-(3-ethynylphenyl)-6-methyl-N5-[3-[6-(methylamino)pyrimidin-4-yl]pyridin-2-yl]isoquinoline-1,5-diamine Openeye Name: N1-(3-ethynylphenyl)-6-methyl-N5-[3-[6-(methylamino)pyrimidin-4-yl]-2-pyridyl]isoquinoline-1,5-diamine CAS Name: N1-(3-ethynylphenyl)-6-methyl-N5-[3-[6-(methylamino)-4-pyrimidinyl]-2-pyridinyl]isoquinoline-1,5-diamine IUPAC Name: 1-N-(3-ethynylphenyl)-6-methyl-5-N-[3-[6-(methylamino)pyrimidin-4-yl]pyridin-2-yl]isoquinoline-1,5-diamine Traditional Name: [1-(3-ethynylanilino)-6-methyl-5-isoquinolyl]-[3-[6-(methylamino)pyrimidin-4-yl]-2-pyridyl]amine Formula: C28H23N7 MolecularWeight: 457.52912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=CC(=C3)C#C)NC4=C(C=CC=N4)C5=CC(=NC=N5)NC

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=CC(=C3)C#C)NC4=C(C=CC=N4)C5=CC(=NC=N5)NC

InChI

InChI=1S/C28H23N7/c1-4-19-7-5-8-20(15-19)34-27-22-11-10-18(2)26(21(22)12-14-31-27)35-28-23(9-6-13-30-28)24-16-25(29-3)33-17-32-24/h1,5-17H,2-3H3,(H,30,35)(H,31,34)(H,29,32,33)