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

Systemtic Name: 6-ethylsulfonyl-4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Openeye Name: 6-ethylsulfonyl-4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine CAS Name: 6-ethylsulfonyl-4-(2-methoxyphenoxy)-2-(4-methyl-1-piperazinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine IUPAC Name: 6-ethylsulfonyl-4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Traditional Name: 6-esyl-4-(2-methoxyphenoxy)-2-(4-methylpiperazino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C(C1)C(=NC(=N2)N3CCN(CC3)C)OC4=CC=CC=C4OC

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C(C1)C(=NC(=N2)N3CCN(CC3)C)OC4=CC=CC=C4OC

InChI

InChI=1S/C21H29N5O4S/c1-4-31(27,28)26-10-9-17-16(15-26)20(30-19-8-6-5-7-18(19)29-3)23-21(22-17)25-13-11-24(2)12-14-25/h5-8H,4,9-15H2,1-3H3