ethyl 4-[1-(2-chloranyl-7H-purin-6-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(2-chloranyl-7H-purin-6-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(2-chloro-7H-purin-6-yl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(2-chloro-7H-purin-6-yl)-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(2-chloro-7H-purin-6-yl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-chloro-7H-purin-6-yl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H24ClN7O3 MolecularWeight: 421.88126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H24ClN7O3/c1-2-29-18(28)26-9-7-25(8-10-26)16(27)12-3-5-24(6-4-12)15-13-14(21-11-20-13)22-17(19)23-15/h11-12H,2-10H2,1H3,(H,20,21,22,23)