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

Systemtic Name: [2-[[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl] cyclohex-3-ene-1-carboxylate Openeye Name: [2-[(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-oxo-ethyl] cyclohex-3-ene-1-carboxylate CAS Name: 1-cyclohex-3-enecarboxylic acid [2-[(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-butylamino]-2-oxoethyl] ester IUPAC Name: [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate Traditional Name: cyclohex-3-ene-1-carboxylic acid [2-[(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-keto-ethyl] ester Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)COC(=O)C2CCC=CC2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)COC(=O)C2CCC=CC2

InChI

InChI=1S/C20H30N4O5/c1-3-5-12-23(15(25)13-29-19(27)14-9-7-6-8-10-14)16-17(21)24(11-4-2)20(28)22-18(16)26/h6-7,14H,3-5,8-13,21H2,1-2H3,(H,22,26,28)