9-(2-azanylnonan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one

Systemtic Name: 9-(2-azanylnonan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Openeye Name: 9-[1-(1-aminoethyl)heptyl]-2-(2-propoxyphenyl)-3H-purin-6-one CAS Name: 9-(2-aminononan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one IUPAC Name: 9-(2-aminononan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Traditional Name: 9-[1-(1-aminoethyl)heptyl]-2-(2-propoxyphenyl)-3H-purin-6-one Formula: C23H33N5O2 MolecularWeight: 411.54042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)N)N1C=NC2=C1NC(=NC2=O)C3=CC=CC=C3OCCC

Isomeric SMILES

CCCCCCC(C(C)N)N1C=NC2=C1NC(=NC2=O)C3=CC=CC=C3OCCC

InChI

InChI=1S/C23H33N5O2/c1-4-6-7-8-12-18(16(3)24)28-15-25-20-22(28)26-21(27-23(20)29)17-11-9-10-13-19(17)30-14-5-2/h9-11,13,15-16,18H,4-8,12,14,24H2,1-3H3,(H,26,27,29)