4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide Openeye Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-[2-(2-thienyl)ethyl]piperazine-1-carboxamide CAS Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-N-(2-thiophen-2-ylethyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide Traditional Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-[2-(2-thienyl)ethyl]piperazine-1-carboxamide Formula: C25H28N8O3S MolecularWeight: 520.60662

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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)C(=O)NCCC5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)NCCC5=CC=CS5)OC

InChI

InChI=1S/C25H28N8O3S/c1-35-19-6-5-16(14-20(19)36-2)18-15-28-22-21(29-18)23(31-24(26)30-22)32-9-11-33(12-10-32)25(34)27-8-7-17-4-3-13-37-17/h3-6,13-15H,7-12H2,1-2H3,(H,27,34)(H2,26,28,30,31)