(1S,2S)-1-azanyl-2-[(6-pyrrol-1-ylpurin-9-yl)methyl]cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2S)-1-azanyl-2-[(6-pyrrol-1-ylpurin-9-yl)methyl]cyclopropane-1-carboxylic acid Openeye Name: (1S,2S)-1-amino-2-[(6-pyrrol-1-ylpurin-9-yl)methyl]cyclopropanecarboxylic acid CAS Name: (1S,2S)-1-amino-2-[[6-(1-pyrrolyl)-9-purinyl]methyl]-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S)-1-amino-2-[(6-pyrrol-1-ylpurin-9-yl)methyl]cyclopropane-1-carboxylic acid Traditional Name: (1S,2S)-1-amino-2-[(6-pyrrol-1-ylpurin-9-yl)methyl]cyclopropanecarboxylic acid Formula: C14H14N6O2 MolecularWeight: 298.29996

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1(C(=O)O)N)CN2C=NC3=C2N=CN=C3N4C=CC=C4

Isomeric SMILES

C1[C@H]([C@@]1(C(=O)O)N)CN2C=NC3=C2N=CN=C3N4C=CC=C4

InChI

InChI=1S/C14H14N6O2/c15-14(13(21)22)5-9(14)6-20-8-18-10-11(16-7-17-12(10)20)19-3-1-2-4-19/h1-4,7-9H,5-6,15H2,(H,21,22)/t9-,14-/m0/s1