9-(2-azido-6-phenyl-hexan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one

Systemtic Name: 9-(2-azido-6-phenyl-hexan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Openeye Name: 9-[1-(1-azidoethyl)-4-phenyl-butyl]-2-(2-propoxyphenyl)-3H-purin-6-one CAS Name: 9-(2-azido-6-phenylhexan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one IUPAC Name: 9-(2-azido-6-phenylhexan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Traditional Name: 9-[1-(1-azidoethyl)-4-phenyl-butyl]-2-(2-propoxyphenyl)-3H-purin-6-one Formula: C26H29N7O2 MolecularWeight: 471.55416

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCCC4=CC=CC=C4)C(C)N=[N+]=[N-]

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCCC4=CC=CC=C4)C(C)N=[N+]=[N-]

InChI

InChI=1S/C26H29N7O2/c1-3-16-35-22-15-8-7-13-20(22)24-29-25-23(26(34)30-24)28-17-33(25)21(18(2)31-32-27)14-9-12-19-10-5-4-6-11-19/h4-8,10-11,13,15,17-18,21H,3,9,12,14,16H2,1-2H3,(H,29,30,34)