2-(6-aminopurin-9-yl)-5-[3-(1-oxidanylcyclopropyl)prop-1-ynoxymethyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[3-(1-oxidanylcyclopropyl)prop-1-ynoxymethyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[3-(1-hydroxycyclopropyl)prop-1-ynoxymethyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[3-(1-hydroxycyclopropyl)prop-1-ynoxymethyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[3-(1-hydroxycyclopropyl)prop-1-ynoxymethyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[3-(1-hydroxycyclopropyl)prop-1-ynoxymethyl]tetrahydrofuran-3,4-diol Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CC#COCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)O

Isomeric SMILES

C1CC1(CC#COCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)O

InChI

InChI=1S/C16H19N5O5/c17-13-10-14(19-7-18-13)21(8-20-10)15-12(23)11(22)9(26-15)6-25-5-1-2-16(24)3-4-16/h7-9,11-12,15,22-24H,2-4,6H2,(H2,17,18,19)