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

Systemtic Name: 2-(4-methylpiperazin-1-yl)-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one Openeye Name: 2-(4-methylpiperazin-1-yl)-6-phenyl-8-(2-thienylmethyl)pteridin-7-one CAS Name: 2-(4-methyl-1-piperazinyl)-6-phenyl-8-(thiophen-2-ylmethyl)-7-pteridinone IUPAC Name: 2-(4-methylpiperazin-1-yl)-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one Traditional Name: 2-(4-methylpiperazino)-6-phenyl-8-(2-thenyl)pteridin-7-one Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C22H22N6OS/c1-26-9-11-27(12-10-26)22-23-14-18-20(25-22)28(15-17-8-5-13-30-17)21(29)19(24-18)16-6-3-2-4-7-16/h2-8,13-14H,9-12,15H2,1H3