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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-4-piperazin-1-yl-pteridin-2-amine Openeye Name: 6-(3,4-dimethoxyphenyl)-4-piperazin-1-yl-pteridin-2-amine CAS Name: 6-(3,4-dimethoxyphenyl)-4-(1-piperazinyl)-2-pteridinamine IUPAC Name: 6-(3,4-dimethoxyphenyl)-4-piperazin-1-ylpteridin-2-amine Traditional Name: [6-(3,4-dimethoxyphenyl)-4-piperazino-pteridin-2-yl]amine Formula: C18H21N7O2 MolecularWeight: 367.40504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCNCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCNCC4)OC

InChI

InChI=1S/C18H21N7O2/c1-26-13-4-3-11(9-14(13)27-2)12-10-21-16-15(22-12)17(24-18(19)23-16)25-7-5-20-6-8-25/h3-4,9-10,20H,5-8H2,1-2H3,(H2,19,21,23,24)