6-(4-methoxyphenyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

Systemtic Name: 6-(4-methoxyphenyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one Openeye Name: 6-(4-methoxyphenyl)-2-piperazin-1-yl-8-(2-thienylmethyl)pteridin-7-one CAS Name: 6-(4-methoxyphenyl)-2-(1-piperazinyl)-8-(thiophen-2-ylmethyl)-7-pteridinone IUPAC Name: 6-(4-methoxyphenyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one Traditional Name: 6-(4-methoxyphenyl)-2-piperazino-8-(2-thenyl)pteridin-7-one Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CC4=CC=CS4)N5CCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CC4=CC=CS4)N5CCNCC5

InChI

InChI=1S/C22H22N6O2S/c1-30-16-6-4-15(5-7-16)19-21(29)28(14-17-3-2-12-31-17)20-18(25-19)13-24-22(26-20)27-10-8-23-9-11-27/h2-7,12-13,23H,8-11,14H2,1H3