6-[7-methyl-1-(5-oxidanylhexyl)-2,6-bis(oxidanylidene)purin-3-yl]hexanenitrile

Systemtic Name: 6-[7-methyl-1-(5-oxidanylhexyl)-2,6-bis(oxidanylidene)purin-3-yl]hexanenitrile Openeye Name: 6-[1-(5-hydroxyhexyl)-7-methyl-2,6-dioxo-purin-3-yl]hexanenitrile CAS Name: 6-[1-(5-hydroxyhexyl)-7-methyl-2,6-dioxo-3-purinyl]hexanenitrile IUPAC Name: 6-[1-(5-hydroxyhexyl)-7-methyl-2,6-dioxopurin-3-yl]hexanenitrile Traditional Name: 6-[1-(5-hydroxyhexyl)-2,6-diketo-7-methyl-purin-3-yl]hexanenitrile Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CCCCCC#N)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CCCCCC#N)O

InChI

InChI=1S/C18H27N5O3/c1-14(24)9-5-8-12-23-17(25)15-16(20-13-21(15)2)22(18(23)26)11-7-4-3-6-10-19/h13-14,24H,3-9,11-12H2,1-2H3