4-(6-azanylpurin-3-yl)-5-[4-(4-hydroxyphenyl)hexan-3-yl]benzene-1,2-diol

Systemtic Name: 4-(6-azanylpurin-3-yl)-5-[4-(4-hydroxyphenyl)hexan-3-yl]benzene-1,2-diol Openeye Name: 4-(6-aminopurin-3-yl)-5-[1-ethyl-2-(4-hydroxyphenyl)butyl]benzene-1,2-diol CAS Name: 4-(6-amino-3-purinyl)-5-[4-(4-hydroxyphenyl)hexan-3-yl]benzene-1,2-diol IUPAC Name: 4-(6-aminopurin-3-yl)-5-[4-(4-hydroxyphenyl)hexan-3-yl]benzene-1,2-diol Traditional Name: 4-(6-aminopurin-3-yl)-5-[1-ethyl-2-(4-hydroxyphenyl)butyl]pyrocatechol Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)O)C(CC)C2=CC(=C(C=C2N3C=NC(=C4C3=NC=N4)N)O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)O)C(CC)C2=CC(=C(C=C2N3C=NC(=C4C3=NC=N4)N)O)O

InChI

InChI=1S/C23H25N5O3/c1-3-15(13-5-7-14(29)8-6-13)16(4-2)17-9-19(30)20(31)10-18(17)28-12-27-22(24)21-23(28)26-11-25-21/h5-12,15-16,29-31H,3-4,24H2,1-2H3