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

Systemtic Name: 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-thiophen-3-yl-piperazine-1-carboxamide Openeye Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(3-thienyl)piperazine-1-carboxamide CAS Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-N-(3-thiophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-thiophen-3-ylpiperazine-1-carboxamide Traditional Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(3-thienyl)piperazine-1-carboxamide Formula: C23H24N8O3S MolecularWeight: 492.55346

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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)NC5=CSC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)NC5=CSC=C5)OC

InChI

InChI=1S/C23H24N8O3S/c1-33-17-4-3-14(11-18(17)34-2)16-12-25-20-19(27-16)21(29-22(24)28-20)30-6-8-31(9-7-30)23(32)26-15-5-10-35-13-15/h3-5,10-13H,6-9H2,1-2H3,(H,26,32)(H2,24,25,28,29)