5-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxy-phenyl]-(1-methyl-6-oxidanyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]-1-methyl-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxy-phenyl]-(1-methyl-6-oxidanyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]-1-methyl-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-[[3-[(3,3-dimethyl-1-piperidyl)methyl]-4-methoxy-phenyl]-(6-hydroxy-1-methyl-4-oxo-2-thioxo-pyrimidin-5-yl)methyl]-6-hydroxy-1-methyl-2-thioxo-pyrimidin-4-one CAS Name: 5-[[3-[(3,3-dimethyl-1-piperidinyl)methyl]-4-methoxyphenyl]-(6-hydroxy-1-methyl-4-oxo-2-sulfanylidene-5-pyrimidinyl)methyl]-6-hydroxy-1-methyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[[3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl]-(6-hydroxy-1-methyl-4-oxo-2-sulfanylidenepyrimidin-5-yl)methyl]-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-[[3-[(3,3-dimethylpiperidino)methyl]-4-methoxy-phenyl]-(6-hydroxy-4-keto-1-methyl-2-thioxo-pyrimidin-5-yl)methyl]-6-hydroxy-1-methyl-2-thioxo-pyrimidin-4-one Formula: C26H33N5O5S2 MolecularWeight: 559.70072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)CC2=C(C=CC(=C2)C(C3=C(N(C(=S)NC3=O)C)O)C4=C(N(C(=S)NC4=O)C)O)OC)C

Isomeric SMILES

CC1(CCCN(C1)CC2=C(C=CC(=C2)C(C3=C(N(C(=S)NC3=O)C)O)C4=C(N(C(=S)NC4=O)C)O)OC)C

InChI

InChI=1S/C26H33N5O5S2/c1-26(2)9-6-10-31(13-26)12-15-11-14(7-8-16(15)36-5)17(18-20(32)27-24(37)29(3)22(18)34)19-21(33)28-25(38)30(4)23(19)35/h7-8,11,17,34-35H,6,9-10,12-13H2,1-5H3,(H,27,32,37)(H,28,33,38)