2-[(4-butylphenyl)amino]-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-[(4-butylphenyl)amino]-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-(4-butylanilino)-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-(4-butylanilino)-9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-(4-butylanilino)-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-(4-butylanilino)-9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)C4CC(C(O4)CO)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)C4CC(C(O4)CO)O

InChI

InChI=1S/C20H25N5O4/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(28)24-20)21-11-25(18)16-9-14(27)15(10-26)29-16/h5-8,11,14-16,26-27H,2-4,9-10H2,1H3,(H2,22,23,24,28)