4-[(8E)-8-(4-chloranyl-2-oxidanylidene-pyridin-3-ylidene)-6-methyl-7,9-dihydropurin-2-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[(8E)-8-(4-chloranyl-2-oxidanylidene-pyridin-3-ylidene)-6-methyl-7,9-dihydropurin-2-yl]piperazine-1-carboxylic acid Openeye Name: 4-[(8E)-8-(4-chloro-2-oxo-3-pyridylidene)-6-methyl-7,9-dihydropurin-2-yl]piperazine-1-carboxylic acid CAS Name: 4-[(8E)-8-(4-chloro-2-oxo-3-pyridinylidene)-6-methyl-7,9-dihydropurin-2-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(8E)-8-(4-chloro-2-oxopyridin-3-ylidene)-6-methyl-7,9-dihydropurin-2-yl]piperazine-1-carboxylic acid Traditional Name: 4-[(8E)-8-(4-chloro-2-keto-3-pyridylidene)-6-methyl-7,9-dihydropurin-2-yl]piperazine-1-carboxylic acid Formula: C16H16ClN7O3 MolecularWeight: 389.79634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C2C(=NC(=N1)N3CCN(CC3)C(=O)O)N/C(=C\4/C(=CC=NC4=O)Cl)/N2

InChI

InChI=1S/C16H16ClN7O3/c1-8-11-13(21-12(20-11)10-9(17)2-3-18-14(10)25)22-15(19-8)23-4-6-24(7-5-23)16(26)27/h2-3,20H,4-7H2,1H3,(H,26,27)(H,19,21,22)/b12-10-