3-methyl-1-(5-oxidanylhexyl)-8-[[(2S)-pyrrolidin-2-yl]methylamino]-7H-purine-2,6-dione

Systemtic Name: 3-methyl-1-(5-oxidanylhexyl)-8-[[(2S)-pyrrolidin-2-yl]methylamino]-7H-purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-3-methyl-8-[[(2S)-pyrrolidin-2-yl]methylamino]-7H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3-methyl-8-[[(2S)-2-pyrrolidinyl]methylamino]-7H-purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3-methyl-8-[[(2S)-pyrrolidin-2-yl]methylamino]-7H-purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-3-methyl-8-[[(2S)-pyrrolidin-2-yl]methylamino]-7H-purine-2,6-quinone Formula: C17H28N6O3 MolecularWeight: 364.44262

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3CCCN3)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NC[C@@H]3CCCN3)N(C1=O)C)O

InChI

InChI=1S/C17H28N6O3/c1-11(24)6-3-4-9-23-15(25)13-14(22(2)17(23)26)21-16(20-13)19-10-12-7-5-8-18-12/h11-12,18,24H,3-10H2,1-2H3,(H2,19,20,21)/t11?,12-/m0/s1