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

Systemtic Name: 2-[4-(1-adamantylcarbonylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[4-(adamantane-1-carbonylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[4-[[[1-adamantyl(oxo)methyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-[4-(adamantane-1-carbonylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[4-(adamantane-1-carbonylthiocarbamoyl)piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C26H32N6O4S MolecularWeight: 524.63508

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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)C45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C26H32N6O4S/c1-2-30-14-19(22(34)35)20(33)18-13-27-24(28-21(18)30)31-3-5-32(6-4-31)25(37)29-23(36)26-10-15-7-16(11-26)9-17(8-15)12-26/h13-17H,2-12H2,1H3,(H,34,35)(H,29,36,37)