8-ethyl-5-oxidanylidene-2-[4-(9H-xanthen-9-ylcarbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 8-ethyl-5-oxidanylidene-2-[4-(9H-xanthen-9-ylcarbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-5-oxo-2-[4-(9H-xanthene-9-carbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-5-oxo-2-[4-[[[oxo(9H-xanthen-9-yl)methyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-5-oxo-2-[4-(9H-xanthene-9-carbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-5-keto-2-[4-(9H-xanthene-9-carbonylthiocarbamoyl)piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C29H26N6O5S MolecularWeight: 570.61894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46)C(=O)O

InChI

InChI=1S/C29H26N6O5S/c1-2-33-16-20(27(38)39)24(36)19-15-30-28(31-25(19)33)34-11-13-35(14-12-34)29(41)32-26(37)23-17-7-3-5-9-21(17)40-22-10-6-4-8-18(22)23/h3-10,15-16,23H,2,11-14H2,1H3,(H,38,39)(H,32,37,41)