1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-2-(2-thienyl)ethanone Formula: C24H25N7O3S MolecularWeight: 491.5654

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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)CC5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)CC5=CC=CS5)OC

InChI

InChI=1S/C24H25N7O3S/c1-33-18-6-5-15(12-19(18)34-2)17-14-26-22-21(27-17)23(29-24(25)28-22)31-9-7-30(8-10-31)20(32)13-16-4-3-11-35-16/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,25,26,28,29)