5-(2-azanyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-9-yl)pyridine-3-carboxylic acid

Systemtic Name: 5-(2-azanyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-9-yl)pyridine-3-carboxylic acid Openeye Name: 5-(2-amino-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-9-yl)pyridine-3-carboxylic acid CAS Name: 5-[2-amino-4-(1-piperazinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-9-yl]-3-pyridinecarboxylic acid IUPAC Name: 5-(2-amino-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-9-yl)pyridine-3-carboxylic acid Traditional Name: 5-(2-amino-4-piperazino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-9-yl)nicotinic acid Formula: C19H24N6O2 MolecularWeight: 368.43286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(C1)C3=CN=CC(=C3)C(=O)O)N=C(N=C2N4CCNCC4)N

Isomeric SMILES

C1CCC2=C(C(C1)C3=CN=CC(=C3)C(=O)O)N=C(N=C2N4CCNCC4)N

InChI

InChI=1S/C19H24N6O2/c20-19-23-16-14(12-9-13(18(26)27)11-22-10-12)3-1-2-4-15(16)17(24-19)25-7-5-21-6-8-25/h9-11,14,21H,1-8H2,(H,26,27)(H2,20,23,24)