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

Systemtic Name: methyl 5-(2-azanyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-9-yl)pyridine-3-carboxylate Openeye Name: methyl 5-(2-amino-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-9-yl)pyridine-3-carboxylate CAS Name: 5-[2-amino-4-(1-piperazinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-9-yl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(2-amino-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-9-yl)pyridine-3-carboxylate Traditional Name: 5-(2-amino-4-piperazino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-9-yl)nicotinic acid methyl ester Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN=C1)C2CCCCC3=C2N=C(N=C3N4CCNCC4)N

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)C2CCCCC3=C2N=C(N=C3N4CCNCC4)N

InChI

InChI=1S/C20H26N6O2/c1-28-19(27)14-10-13(11-23-12-14)15-4-2-3-5-16-17(15)24-20(21)25-18(16)26-8-6-22-7-9-26/h10-12,15,22H,2-9H2,1H3,(H2,21,24,25)