2-[2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoylamino]-6-methoxy-pyrimidin-4-olate

Systemtic Name: 2-[2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoylamino]-6-methoxy-pyrimidin-4-olate Openeye Name: 2-[[2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-6-methoxy-pyrimidin-4-olate CAS Name: 2-[[2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-oxoethyl]amino]-6-methoxy-4-pyrimidinolate IUPAC Name: 2-[[2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-6-methoxypyrimidin-4-olate Traditional Name: 2-[[2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-6-methoxy-pyrimidin-4-olate Formula: C22H24N4O5S MolecularWeight: 456.51476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)NC3=NC(=CC(=N3)OC)[O-])C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)NC3=NC(=CC(=N3)OC)[O-])C4=CC=CS4)OC

InChI

InChI=1S/C22H24N4O5S/c1-29-15-9-13-6-7-26(12-19(28)24-22-23-18(27)11-20(25-22)31-3)21(17-5-4-8-32-17)14(13)10-16(15)30-2/h4-5,8-11,21H,6-7,12H2,1-3H3,(H2,23,24,25,27,28)/t21-/m0/s1