2-azanyl-9-[(1S,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,7-dihydropurin-9-ium-6-one

Systemtic Name: 2-azanyl-9-[(1S,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,7-dihydropurin-9-ium-6-one Openeye Name: 2-amino-9-[(1S,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,7-dihydropurin-9-ium-6-one CAS Name: 2-amino-9-[(1S,4S)-4-(hydroxymethyl)-1-cyclopent-2-enyl]-3,7-dihydropurin-9-ium-6-one IUPAC Name: 2-amino-9-[(1S,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,7-dihydropurin-9-ium-6-one Traditional Name: 2-amino-9-[(1S,4S)-4-methylolcyclopent-2-en-1-yl]-3,7-dihydropurin-9-ium-6-one Formula: C11H14N5O2+ MolecularWeight: 248.26116

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1[N+]2=CNC3=C2NC(=NC3=O)N)CO

Isomeric SMILES

C1[C@@H](C=C[C@H]1[N+]2=CNC3=C2NC(=NC3=O)N)CO

InChI

InChI=1S/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/p+1/t6-,7-/m1/s1