3-methyl-7-nonyl-8-(propylamino)-4,5-dihydropurine-2,6-dione hydrate

Systemtic Name: 3-methyl-7-nonyl-8-(propylamino)-4,5-dihydropurine-2,6-dione hydrate Openeye Name: 3-methyl-7-nonyl-8-(propylamino)-4,5-dihydropurine-2,6-dione hydrate CAS Name: 3-methyl-7-nonyl-8-(propylamino)-4,5-dihydropurine-2,6-dione hydrate IUPAC Name: 3-methyl-7-nonyl-8-(propylamino)-4,5-dihydropurine-2,6-dione hydrate Traditional Name: 3-methyl-7-nonyl-8-(propylamino)-4,5-dihydropurine-2,6-quinone hydrate Formula: C18H35N5O3 MolecularWeight: 369.5022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2C(N=C1NCCC)N(C(=O)NC2=O)C.O

Isomeric SMILES

CCCCCCCCCN1C2C(N=C1NCCC)N(C(=O)NC2=O)C.O

InChI

InChI=1S/C18H33N5O2.H2O/c1-4-6-7-8-9-10-11-13-23-14-15(20-17(23)19-12-5-2)22(3)18(25)21-16(14)24;/h14-15H,4-13H2,1-3H3,(H,19,20)(H,21,24,25);1H2