1-[4-[[4-(6-aminopurin-9-yl)-2-oxidanyl-cyclopentyl]methoxy-(butylamino)phosphoryl]oxy-5-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[4-[[4-(6-aminopurin-9-yl)-2-oxidanyl-cyclopentyl]methoxy-(butylamino)phosphoryl]oxy-5-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[5-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]-4-[[4-(6-aminopurin-9-yl)-2-hydroxy-cyclopentyl]methoxy-(butylamino)phosphoryl]oxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[5-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[4-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]methoxy-(butylamino)phosphoryl]oxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[4-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]methoxy-(butylamino)phosphoryl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[4-[(4-adenin-9-yl-2-hydroxy-cyclopentyl)methoxy-(butylamino)phosphoryl]oxy-5-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C34H49N11O13P2S MolecularWeight: 913.831282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNP(=O)(OCC1CC(CC1O)N2C=NC3=C2N=CN=C3N)OC4CC(OC4COP(=S)(O)OC5CC(OC5CO)N6C=CC(=NC6=O)N)N7C=C(C(=O)NC7=O)C

Isomeric SMILES

CCCCNP(=O)(OCC1CC(CC1O)N2C=NC3=C2N=CN=C3N)OC4CC(OC4COP(=S)(O)OC5CC(OC5CO)N6C=CC(=NC6=O)N)N7C=C(C(=O)NC7=O)C

InChI

InChI=1S/C34H49N11O13P2S/c1-3-4-6-40-59(51,53-14-19-8-20(9-21(19)47)45-17-39-29-30(36)37-16-38-31(29)45)57-23-11-28(44-12-18(2)32(48)42-34(44)50)56-25(23)15-54-60(52,61)58-22-10-27(55-24(22)13-46)43-7-5-26(35)41-33(43)49/h5,7,12,16-17,19-25,27-28,46-47H,3-4,6,8-11,13-15H2,1-2H3,(H,40,51)(H,52,61)(H2,35,41,49)(H2,36,37,38)(H,42,48,50)