ethyl 1-[2-[[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-butylamino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C21H35N5O5 MolecularWeight: 437.5331

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CN2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CN2CCCC(C2)C(=O)OCC

InChI

InChI=1S/C21H35N5O5/c1-4-7-12-25(17-18(22)26(10-5-2)21(30)23-19(17)28)16(27)14-24-11-8-9-15(13-24)20(29)31-6-3/h15H,4-14,22H2,1-3H3,(H,23,28,30)