2-(4-methylpiperazin-1-yl)-8-phenethyl-6-thiophen-2-yl-pteridin-7-one

Systemtic Name: 2-(4-methylpiperazin-1-yl)-8-phenethyl-6-thiophen-2-yl-pteridin-7-one Openeye Name: 2-(4-methylpiperazin-1-yl)-8-phenethyl-6-(2-thienyl)pteridin-7-one CAS Name: 2-(4-methyl-1-piperazinyl)-8-phenethyl-6-thiophen-2-yl-7-pteridinone IUPAC Name: 2-(4-methylpiperazin-1-yl)-8-phenethyl-6-thiophen-2-ylpteridin-7-one Traditional Name: 2-(4-methylpiperazino)-8-phenethyl-6-(2-thienyl)pteridin-7-one Formula: C23H24N6OS MolecularWeight: 432.54126

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC5=CC=CC=C5

InChI

InChI=1S/C23H24N6OS/c1-27-11-13-28(14-12-27)23-24-16-18-21(26-23)29(10-9-17-6-3-2-4-7-17)22(30)20(25-18)19-8-5-15-31-19/h2-8,15-16H,9-14H2,1H3