3-methyl-7-nonyl-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-nonyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 3-methyl-7-nonyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-nonyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-3-methyl-7-nonyl-xanthine Formula: C18H29N5O2 MolecularWeight: 347.45516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H29N5O2/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/h5H,2,4,6-13H2,1,3H3,(H,19,20)(H,21,24,25)