[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-[[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-1-phosphonooxy-pentan-3-yl]disulfanyl]pentyl] dihydrogen phosphate

Systemtic Name: [4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-[[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-1-phosphonooxy-pentan-3-yl]disulfanyl]pentyl] dihydrogen phosphate Openeye Name: [4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-[[2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-phosphonooxyethyl)propyl]disulfanyl]pentyl] dihydrogen phosphate CAS Name: [4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-3-[[4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-1-phosphonooxypentan-3-yl]disulfanyl]pentyl] dihydrogen phosphate IUPAC Name: [4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-1-phosphonooxypentan-3-yl]disulfanyl]pentyl] dihydrogen phosphate Traditional Name: [4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-[[2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-phosphonooxyethyl)propyl]disulfanyl]pentyl] dihydrogen phosphate Formula: C24H40N8O10P2S2 MolecularWeight: 726.699522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CN(C=O)C(C)C(CCOP(=O)(O)O)SSC(CCOP(=O)(O)O)C(C)N(CC2=CN=C(N=C2N)C)C=O

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN(C=O)C(C)C(CCOP(=O)(O)O)SSC(CCOP(=O)(O)O)C(C)N(CC2=CN=C(N=C2N)C)C=O

InChI

InChI=1S/C24H40N8O10P2S2/c1-15(31(13-33)11-19-9-27-17(3)29-23(19)25)21(5-7-41-43(35,36)37)45-46-22(6-8-42-44(38,39)40)16(2)32(14-34)12-20-10-28-18(4)30-24(20)26/h9-10,13-16,21-22H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)(H2,35,36,37)(H2,38,39,40)