6-ethylsulfonyl-4-(4-fluoranyl-3-methyl-phenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

Systemtic Name: 6-ethylsulfonyl-4-(4-fluoranyl-3-methyl-phenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Openeye Name: 6-ethylsulfonyl-4-(4-fluoro-3-methyl-phenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine CAS Name: 6-ethylsulfonyl-4-(4-fluoro-3-methylphenoxy)-2-(4-methyl-1-piperazinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine IUPAC Name: 6-ethylsulfonyl-4-(4-fluoro-3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Traditional Name: 6-esyl-4-(4-fluoro-3-methyl-phenoxy)-2-(4-methylpiperazino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Formula: C21H28FN5O3S MolecularWeight: 449.542123

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C(C1)C(=NC(=N2)N3CCN(CC3)C)OC4=CC(=C(C=C4)F)C

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C(C1)C(=NC(=N2)N3CCN(CC3)C)OC4=CC(=C(C=C4)F)C

InChI

InChI=1S/C21H28FN5O3S/c1-4-31(28,29)27-8-7-19-17(14-27)20(30-16-5-6-18(22)15(2)13-16)24-21(23-19)26-11-9-25(3)10-12-26/h5-6,13H,4,7-12,14H2,1-3H3