1-[[5-(6-azanyl-2-oct-1-ynyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-methyl-urea

Systemtic Name: 1-[[5-(6-azanyl-2-oct-1-ynyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-methyl-urea Openeye Name: 1-[[5-(6-amino-2-oct-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-3-methyl-urea CAS Name: 1-[[5-(6-amino-2-oct-1-ynyl-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl]-3-methylurea IUPAC Name: 1-[[5-(6-amino-2-oct-1-ynylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea Traditional Name: 1-[[5-(6-amino-2-oct-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-3-methyl-urea Formula: C20H29N7O4 MolecularWeight: 431.48876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CNC(=O)NC)O)O

Isomeric SMILES

CCCCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CNC(=O)NC)O)O

InChI

InChI=1S/C20H29N7O4/c1-3-4-5-6-7-8-9-13-25-17(21)14-18(26-13)27(11-24-14)19-16(29)15(28)12(31-19)10-23-20(30)22-2/h11-12,15-16,19,28-29H,3-7,10H2,1-2H3,(H2,21,25,26)(H2,22,23,30)