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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pteridin-2-amine Openeye Name: 6-(3,4-dimethoxyphenyl)-4-[4-(m-tolylmethyl)piperazin-1-yl]pteridin-2-amine CAS Name: 6-(3,4-dimethoxyphenyl)-4-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-pteridinamine IUPAC Name: 6-(3,4-dimethoxyphenyl)-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pteridin-2-amine Traditional Name: [6-(3,4-dimethoxyphenyl)-4-[4-(3-methylbenzyl)piperazino]pteridin-2-yl]amine Formula: C26H29N7O2 MolecularWeight: 471.55416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC(=NC4=NC=C(N=C43)C5=CC(=C(C=C5)OC)OC)N

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC(=NC4=NC=C(N=C43)C5=CC(=C(C=C5)OC)OC)N

InChI

InChI=1S/C26H29N7O2/c1-17-5-4-6-18(13-17)16-32-9-11-33(12-10-32)25-23-24(30-26(27)31-25)28-15-20(29-23)19-7-8-21(34-2)22(14-19)35-3/h4-8,13-15H,9-12,16H2,1-3H3,(H2,27,28,30,31)