5-(6-aminopurin-9-yl)-N-butyl-3-[[2-(butylcarbamoylamino)-3-(4-methoxyphenyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxamide

Systemtic Name: 5-(6-aminopurin-9-yl)-N-butyl-3-[[2-(butylcarbamoylamino)-3-(4-methoxyphenyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxamide Openeye Name: 5-(6-aminopurin-9-yl)-N-butyl-3-[[2-(butylcarbamoylamino)-3-(4-methoxyphenyl)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-(6-aminopurin-9-yl)-N-butyl-3-[[2-[[butylamino(oxo)methyl]amino]-3-(4-methoxyphenyl)-1-oxopropyl]amino]-4-hydroxy-2-oxolanecarboxamide IUPAC Name: 5-(6-aminopurin-9-yl)-N-butyl-3-[[2-(butylcarbamoylamino)-3-(4-methoxyphenyl)propanoyl]amino]-4-hydroxyoxolane-2-carboxamide Traditional Name: 5-adenin-9-yl-N-butyl-3-[[2-(butylcarbamoylamino)-3-(4-methoxyphenyl)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxamide Formula: C29H41N9O6 MolecularWeight: 611.69254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)NC(=O)C(CC4=CC=C(C=C4)OC)NC(=O)NCCCC

Isomeric SMILES

CCCCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)NC(=O)C(CC4=CC=C(C=C4)OC)NC(=O)NCCCC

InChI

InChI=1S/C29H41N9O6/c1-4-6-12-31-27(41)23-20(22(39)28(44-23)38-16-35-21-24(30)33-15-34-25(21)38)37-26(40)19(36-29(42)32-13-7-5-2)14-17-8-10-18(43-3)11-9-17/h8-11,15-16,19-20,22-23,28,39H,4-7,12-14H2,1-3H3,(H,31,41)(H,37,40)(H2,30,33,34)(H2,32,36,42)