2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]-6-thiophen-2-yl-pteridin-7-one

Systemtic Name: 2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]-6-thiophen-2-yl-pteridin-7-one Openeye Name: 2-(4-methylpiperazin-1-yl)-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-6-(2-thienyl)pteridin-7-one CAS Name: 2-(4-methyl-1-piperazinyl)-8-[[(2R)-2-oxolanyl]methyl]-6-thiophen-2-yl-7-pteridinone IUPAC Name: 2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]-6-thiophen-2-ylpteridin-7-one Traditional Name: 2-(4-methylpiperazino)-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-6-(2-thienyl)pteridin-7-one Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CC5CCCO5

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)C[C@H]5CCCO5

InChI

InChI=1S/C20H24N6O2S/c1-24-6-8-25(9-7-24)20-21-12-15-18(23-20)26(13-14-4-2-10-28-14)19(27)17(22-15)16-5-3-11-29-16/h3,5,11-12,14H,2,4,6-10,13H2,1H3/t14-/m1/s1