2-[(4-chloranyl-2-methyl-phenyl)amino]-5-ethynyl-2-purin-9-yl-oxolane-3,4-diol

Systemtic Name: 2-[(4-chloranyl-2-methyl-phenyl)amino]-5-ethynyl-2-purin-9-yl-oxolane-3,4-diol Openeye Name: 2-(4-chloro-2-methyl-anilino)-5-ethynyl-2-purin-9-yl-tetrahydrofuran-3,4-diol CAS Name: 2-(4-chloro-2-methylanilino)-5-ethynyl-2-(9-purinyl)oxolane-3,4-diol IUPAC Name: 2-(4-chloro-2-methylanilino)-5-ethynyl-2-purin-9-yloxolane-3,4-diol Traditional Name: 2-(4-chloro-2-methyl-anilino)-5-ethynyl-2-purin-9-yl-tetrahydrofuran-3,4-diol Formula: C18H16ClN5O3 MolecularWeight: 385.80434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC2(C(C(C(O2)C#C)O)O)N3C=NC4=CN=CN=C43

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2(C(C(C(O2)C#C)O)O)N3C=NC4=CN=CN=C43

InChI

InChI=1S/C18H16ClN5O3/c1-3-14-15(25)16(26)18(27-14,23-12-5-4-11(19)6-10(12)2)24-9-22-13-7-20-8-21-17(13)24/h1,4-9,14-16,23,25-26H,2H3