4-[(8Z)-8-[4-[[(2S)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]-2-oxidanylidene-pyridin-3-ylidene]-6-methyl-7,9-dihydropurin-2-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[(8Z)-8-[4-[[(2S)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]-2-oxidanylidene-pyridin-3-ylidene]-6-methyl-7,9-dihydropurin-2-yl]piperazine-1-carboxylic acid Openeye Name: 4-[(8Z)-8-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-2-oxo-3-pyridylidene]-6-methyl-7,9-dihydropurin-2-yl]piperazine-1-carboxylic acid CAS Name: 4-[(8Z)-8-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-3-pyridinylidene]-6-methyl-7,9-dihydropurin-2-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(8Z)-8-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxopyridin-3-ylidene]-6-methyl-7,9-dihydropurin-2-yl]piperazine-1-carboxylic acid Traditional Name: 4-[(8Z)-8-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-2-keto-3-pyridylidene]-6-methyl-7,9-dihydropurin-2-yl]piperazine-1-carboxylic acid Formula: C24H25ClN8O4 MolecularWeight: 524.9595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)N3CCN(CC3)C(=O)O)NC(=C4C(=CC=NC4=O)NCC(C5=CC(=CC=C5)Cl)O)N2

Isomeric SMILES

CC1=C2C(=NC(=N1)N3CCN(CC3)C(=O)O)N/C(=C\4/C(=CC=NC4=O)NC[C@H](C5=CC(=CC=C5)Cl)O)/N2

InChI

InChI=1S/C24H25ClN8O4/c1-13-19-21(31-23(28-13)32-7-9-33(10-8-32)24(36)37)30-20(29-19)18-16(5-6-26-22(18)35)27-12-17(34)14-3-2-4-15(25)11-14/h2-6,11,17,27,29,34H,7-10,12H2,1H3,(H,36,37)(H,28,30,31)/b20-18-/t17-/m1/s1