2-azanyl-7-[3,6-bis(oxidanyl)hexyl]-1H-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-7-[3,6-bis(oxidanyl)hexyl]-1H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-7-(3,6-dihydroxyhexyl)-1H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-7-(3,6-dihydroxyhexyl)-1H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-amino-7-(3,6-dihydroxyhexyl)-1H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-7-(3,6-dihydroxyhexyl)-1H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C2=C1C(=O)N=C(N2)N)CCC(CCCO)O

Isomeric SMILES

C1=CN(C2=C1C(=O)N=C(N2)N)CCC(CCCO)O

InChI

InChI=1S/C12H18N4O3/c13-12-14-10-9(11(19)15-12)4-6-16(10)5-3-8(18)2-1-7-17/h4,6,8,17-18H,1-3,5,7H2,(H3,13,14,15,19)