bis[5-[[3-methyl-2,4-bis(oxidanylidene)-1-prop-2-enyl-pyrimidin-5-yl]carbonylcarbamoylamino]pentyl] dodecanedioate

Systemtic Name: bis[5-[[3-methyl-2,4-bis(oxidanylidene)-1-prop-2-enyl-pyrimidin-5-yl]carbonylcarbamoylamino]pentyl] dodecanedioate Openeye Name: bis[5-[(1-allyl-3-methyl-2,4-dioxo-pyrimidine-5-carbonyl)carbamoylamino]pentyl] dodecanedioate CAS Name: dodecanedioic acid bis[5-[[[[(3-methyl-2,4-dioxo-1-prop-2-enyl-5-pyrimidinyl)-oxomethyl]amino]-oxomethyl]amino]pentyl] ester IUPAC Name: bis[5-[(3-methyl-2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamoylamino]pentyl] dodecanedioate Traditional Name: dodecanedioic acid bis[5-[(1-allyl-2,4-diketo-3-methyl-pyrimidine-5-carbonyl)carbamoylamino]pentyl] ester Formula: C42H62N8O12 MolecularWeight: 870.98808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN(C1=O)CC=C)C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)C2=CN(C(=O)N(C2=O)C)CC=C

Isomeric SMILES

CN1C(=O)C(=CN(C1=O)CC=C)C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)C2=CN(C(=O)N(C2=O)C)CC=C

InChI

InChI=1S/C42H62N8O12/c1-5-25-49-29-31(37(55)47(3)41(49)59)35(53)45-39(57)43-23-17-13-19-27-61-33(51)21-15-11-9-7-8-10-12-16-22-34(52)62-28-20-14-18-24-44-40(58)46-36(54)32-30-50(26-6-2)42(60)48(4)38(32)56/h5-6,29-30H,1-2,7-28H2,3-4H3,(H2,43,45,53,57)(H2,44,46,54,58)