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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-4-[4-(3-phenylpropyl)piperazin-1-yl]pteridin-2-amine Openeye Name: 6-(3,4-dimethoxyphenyl)-4-[4-(3-phenylpropyl)piperazin-1-yl]pteridin-2-amine CAS Name: 6-(3,4-dimethoxyphenyl)-4-[4-(3-phenylpropyl)-1-piperazinyl]-2-pteridinamine IUPAC Name: 6-(3,4-dimethoxyphenyl)-4-[4-(3-phenylpropyl)piperazin-1-yl]pteridin-2-amine Traditional Name: [6-(3,4-dimethoxyphenyl)-4-[4-(3-phenylpropyl)piperazino]pteridin-2-yl]amine Formula: C27H31N7O2 MolecularWeight: 485.58074

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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)CCCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)CCCC5=CC=CC=C5)OC

InChI

InChI=1S/C27H31N7O2/c1-35-22-11-10-20(17-23(22)36-2)21-18-29-25-24(30-21)26(32-27(28)31-25)34-15-13-33(14-16-34)12-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-11,17-18H,6,9,12-16H2,1-2H3,(H2,28,29,31,32)