6-(3,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazin-1-yl]pteridin-2-amine

Systemtic Name: 6-(3,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazin-1-yl]pteridin-2-amine Openeye Name: 6-(3,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazin-1-yl]pteridin-2-amine CAS Name: 6-(3,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)-1-piperazinyl]-2-pteridinamine IUPAC Name: 6-(3,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazin-1-yl]pteridin-2-amine Traditional Name: [6-(3,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazino]pteridin-2-yl]amine Formula: C26H29N7O3 MolecularWeight: 487.55356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)CCOC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)CCOC5=CC=CC=C5)OC

InChI

InChI=1S/C26H29N7O3/c1-34-21-9-8-18(16-22(21)35-2)20-17-28-24-23(29-20)25(31-26(27)30-24)33-12-10-32(11-13-33)14-15-36-19-6-4-3-5-7-19/h3-9,16-17H,10-15H2,1-2H3,(H2,27,28,30,31)