ethyl 2-[[4-[[2,4-bis(azanyl)pyrimido[5,4-d]pyrimidin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-5-[2,2-bis(diethoxyphosphoryl)ethylamino]-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 2-[[4-[[2,4-bis(azanyl)pyrimido[5,4-d]pyrimidin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-5-[2,2-bis(diethoxyphosphoryl)ethylamino]-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-[2,2-bis(diethoxyphosphoryl)ethylamino]-2-[[4-[(2,4-diaminopyrimido[5,4-d]pyrimidin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-oxo-pentanoate CAS Name: 5-[2,2-bis(diethoxyphosphoryl)ethylamino]-2-[[[4-[(2,4-diamino-6-pyrimido[5,4-d]pyrimidinyl)methyl-methylamino]phenyl]-oxomethyl]amino]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-[2,2-bis(diethoxyphosphoryl)ethylamino]-2-[[4-[(2,4-diaminopyrimido[5,4-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoate Traditional Name: 5-[2,2-bis(diethoxyphosphoryl)ethylamino]-2-[[4-[(2,4-diaminopyrimido[5,4-d]pyrimidin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-keto-valeric acid ethyl ester Formula: C32H49N9O10P2 MolecularWeight: 781.733282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)NCC(P(=O)(OCC)OCC)P(=O)(OCC)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=NC=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

CCOC(=O)C(CCC(=O)NCC(P(=O)(OCC)OCC)P(=O)(OCC)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=NC=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C32H49N9O10P2/c1-7-47-31(44)23(16-17-26(42)36-19-27(52(45,48-8-2)49-9-3)53(46,50-10-4)51-11-5)37-30(43)21-12-14-22(15-13-21)41(6)20-25-35-18-24-28(39-25)29(33)40-32(34)38-24/h12-15,18,23,27H,7-11,16-17,19-20H2,1-6H3,(H,36,42)(H,37,43)(H4,33,34,38,40)