3-[2-(3,5-dimethoxynaphthalen-2-yl)ethynyl]-4,5-dimethoxy-6-(phenylmethyl)pyrimidine-2,4-diamine

Systemtic Name: 3-[2-(3,5-dimethoxynaphthalen-2-yl)ethynyl]-4,5-dimethoxy-6-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: 6-benzyl-3-[2-(3,5-dimethoxy-2-naphthyl)ethynyl]-4,5-dimethoxy-pyrimidine-2,4-diamine CAS Name: 3-[2-(3,5-dimethoxy-2-naphthalenyl)ethynyl]-4,5-dimethoxy-6-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 6-benzyl-3-[2-(3,5-dimethoxynaphthalen-2-yl)ethynyl]-4,5-dimethoxypyrimidine-2,4-diamine Traditional Name: [2-amino-6-benzyl-3-[2-(3,5-dimethoxy-2-naphthyl)ethynyl]-4,5-dimethoxy-pyrimidin-4-yl]amine Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=C(C(=C2)C#CN3C(=NC(=C(C3(N)OC)OC)CC4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=CC=CC2=C1C=C(C(=C2)C#CN3C(=NC(=C(C3(N)OC)OC)CC4=CC=CC=C4)N)OC

InChI

InChI=1S/C27H28N4O4/c1-32-23-12-8-11-19-16-20(24(33-2)17-21(19)23)13-14-31-26(28)30-22(15-18-9-6-5-7-10-18)25(34-3)27(31,29)35-4/h5-12,16-17H,15,29H2,1-4H3,(H2,28,30)