1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-6-(2-methoxypyrimidin-5-yl)-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-6-(2-methoxypyrimidin-5-yl)-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 1-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-6-(2-methoxypyrimidin-5-yl)-10,10-dioxo-thioxanthen-9-one CAS Name: 1-[[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]-6-(2-methoxy-5-pyrimidinyl)-10,10-dioxo-9-thioxanthenone IUPAC Name: 1-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-6-(2-methoxypyrimidin-5-yl)-10,10-dioxothioxanthen-9-one Traditional Name: 1-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-10,10-diketo-6-(2-methoxypyrimidin-5-yl)thioxanthen-9-one Formula: C27H21BrN6O5S MolecularWeight: 621.46184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)N5CCN(CC5)C6=NC=C(C=N6)Br

Isomeric SMILES

COC1=NC=C(C=N1)C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)N5CCN(CC5)C6=NC=C(C=N6)Br

InChI

InChI=1S/C27H21BrN6O5S/c1-39-27-31-12-17(13-32-27)16-5-6-19-22(11-16)40(37,38)21-4-2-3-20(23(21)24(19)35)25(36)33-7-9-34(10-8-33)26-29-14-18(28)15-30-26/h2-6,11-15H,7-10H2,1H3