N-(3,4-dimethylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]pteridin-4-amine

Systemtic Name: N-(3,4-dimethylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]pteridin-4-amine Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pteridin-4-amine CAS Name: N-(3,4-dimethylphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]-4-pteridinamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pteridin-4-amine Traditional Name: [2-(4-benzylpiperazino)pteridin-4-yl]-(3,4-dimethylphenyl)amine Formula: C25H27N7 MolecularWeight: 425.52878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC3=NC=CN=C32)N4CCN(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC3=NC=CN=C32)N4CCN(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C25H27N7/c1-18-8-9-21(16-19(18)2)28-24-22-23(27-11-10-26-22)29-25(30-24)32-14-12-31(13-15-32)17-20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3,(H,27,28,29,30)