2-[6-(cyclopentylamino)-2-phenylazanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(cyclopentylamino)-2-phenylazanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-anilino-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-anilino-6-(cyclopentylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-anilino-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-anilino-6-(cyclopentylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)NC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)NC5=CC=CC=C5

InChI

InChI=1S/C21H26N6O4/c28-10-14-16(29)17(30)20(31-14)27-11-22-15-18(23-12-8-4-5-9-12)25-21(26-19(15)27)24-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16-17,20,28-30H,4-5,8-10H2,(H2,23,24,25,26)