N-(3-methyl-4-phenoxy-phenyl)-6-(2-piperidin-4-ylethynyl)pyrido[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-methyl-4-phenoxy-phenyl)-6-(2-piperidin-4-ylethynyl)pyrido[3,4-d]pyrimidin-4-amine Openeye Name: N-(3-methyl-4-phenoxy-phenyl)-6-[2-(4-piperidyl)ethynyl]pyrido[3,4-d]pyrimidin-4-amine CAS Name: N-(3-methyl-4-phenoxyphenyl)-6-[2-(4-piperidinyl)ethynyl]-4-pyrido[3,4-d]pyrimidinamine IUPAC Name: N-(3-methyl-4-phenoxyphenyl)-6-(2-piperidin-4-ylethynyl)pyrido[3,4-d]pyrimidin-4-amine Traditional Name: (3-methyl-4-phenoxy-phenyl)-[6-[2-(4-piperidyl)ethynyl]pyrido[3,4-d]pyrimidin-4-yl]amine Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(N=C3)C#CC4CCNCC4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(N=C3)C#CC4CCNCC4)OC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O/c1-19-15-22(9-10-26(19)33-23-5-3-2-4-6-23)32-27-24-16-21(29-17-25(24)30-18-31-27)8-7-20-11-13-28-14-12-20/h2-6,9-10,15-18,20,28H,11-14H2,1H3,(H,30,31,32)