potassium 2-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: potassium 2-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: potassium 2-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: potassium 2-[4-[(4-aminophenyl)methyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: potassium 2-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: potassium 2-[4-(4-aminobenzyl)piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C21H23KN6O3 MolecularWeight: 446.54402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)CC4=CC=C(C=C4)N)C(=O)[O-].[K+]

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)CC4=CC=C(C=C4)N)C(=O)[O-].[K+]

InChI

InChI=1S/C21H24N6O3.K/c1-2-26-13-17(20(29)30)18(28)16-11-23-21(24-19(16)26)27-9-7-25(8-10-27)12-14-3-5-15(22)6-4-14;/h3-6,11,13H,2,7-10,12,22H2,1H3,(H,29,30);/q;+1/p-1