tert-butyl 1-[2,6-bis(azanyl)hexanoyl]-4-(5-methoxypyrimidin-4-yl)piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-[2,6-bis(azanyl)hexanoyl]-4-(5-methoxypyrimidin-4-yl)piperazine-2-carboxylate Openeye Name: tert-butyl 1-(2,6-diaminohexanoyl)-4-(5-methoxypyrimidin-4-yl)piperazine-2-carboxylate CAS Name: 1-(2,6-diamino-1-oxohexyl)-4-(5-methoxy-4-pyrimidinyl)-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2,6-diaminohexanoyl)-4-(5-methoxypyrimidin-4-yl)piperazine-2-carboxylate Traditional Name: 1-(2,6-diaminohexanoyl)-4-(5-methoxypyrimidin-4-yl)piperazine-2-carboxylic acid tert-butyl ester Formula: C20H34N6O4 MolecularWeight: 422.52176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CCN1C(=O)C(CCCCN)N)C2=NC=NC=C2OC

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(CCN1C(=O)C(CCCCN)N)C2=NC=NC=C2OC

InChI

InChI=1S/C20H34N6O4/c1-20(2,3)30-19(28)15-12-25(17-16(29-4)11-23-13-24-17)9-10-26(15)18(27)14(22)7-5-6-8-21/h11,13-15H,5-10,12,21-22H2,1-4H3