(2R,4aR,10bR)-9-ethoxy-8-methoxy-6-(2-methylsulfanylpyrimidin-5-yl)-1,2,4a,10b-tetrahydrophenanthridin-2-ol

Systemtic Name: (2R,4aR,10bR)-9-ethoxy-8-methoxy-6-(2-methylsulfanylpyrimidin-5-yl)-1,2,4a,10b-tetrahydrophenanthridin-2-ol Openeye Name: (2R,4aR,10bR)-9-ethoxy-8-methoxy-6-(2-methylsulfanylpyrimidin-5-yl)-1,2,4a,10b-tetrahydrophenanthridin-2-ol CAS Name: (2R,4aR,10bR)-9-ethoxy-8-methoxy-6-[2-(methylthio)-5-pyrimidinyl]-1,2,4a,10b-tetrahydrophenanthridin-2-ol IUPAC Name: (2R,4aR,10bR)-9-ethoxy-8-methoxy-6-(2-methylsulfanylpyrimidin-5-yl)-1,2,4a,10b-tetrahydrophenanthridin-2-ol Traditional Name: (2R,4aR,10bR)-9-ethoxy-8-methoxy-6-[2-(methylthio)pyrimidin-5-yl]-1,2,4a,10b-tetrahydrophenanthridin-2-ol Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C3CC(C=CC3N=C2C4=CN=C(N=C4)SC)O)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)[C@H]3C[C@H](C=C[C@H]3N=C2C4=CN=C(N=C4)SC)O)OC

InChI

InChI=1S/C21H23N3O3S/c1-4-27-19-8-14-15-7-13(25)5-6-17(15)24-20(16(14)9-18(19)26-2)12-10-22-21(28-3)23-11-12/h5-6,8-11,13,15,17,25H,4,7H2,1-3H3/t13-,15+,17+/m0/s1