[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxymethyl-phosphonooxy-phosphinic acid

Systemtic Name: [(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxymethyl-phosphonooxy-phosphinic acid Openeye Name: [(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxymethyl-phosphonooxy-phosphinic acid CAS Name: [(1R,4S)-4-(6-aminopurin-9-yl)-1-cyclopent-2-enyl]oxymethyl-phosphonooxyphosphinic acid IUPAC Name: [(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxymethyl-phosphonooxyphosphinic acid Traditional Name: [(1R,4S)-4-adenin-9-ylcyclopent-2-en-1-yl]oxymethyl-phosphonooxy-phosphinic acid Formula: C11H15N5O7P2 MolecularWeight: 391.213622

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1OCP(=O)(O)OP(=O)(O)O)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1[C@@H](C=C[C@@H]1OCP(=O)(O)OP(=O)(O)O)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C11H15N5O7P2/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-2-8(3-7)22-6-24(17,18)23-25(19,20)21/h1-2,4-5,7-8H,3,6H2,(H,17,18)(H2,12,13,14)(H2,19,20,21)/t7-,8+/m1/s1