(E)-3-[(3aR,6R,6aS)-6-(6-aminopurin-9-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[(3aR,6R,6aS)-6-(6-aminopurin-9-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-[(3aR,6R,6aS)-6-(6-aminopurin-9-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]prop-2-enenitrile CAS Name: (E)-3-[(3aR,6R,6aS)-6-(6-aminopurin-9-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2-propenenitrile IUPAC Name: (E)-3-[(3aR,6R,6aS)-6-(6-aminopurin-9-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]prop-2-enenitrile Traditional Name: (E)-3-[(3aR,6R,6aS)-6-adenin-9-yl-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]acrylonitrile Formula: C16H16N6O2 MolecularWeight: 324.33724

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C=C(C2O1)C=CC#N)N3C=NC4=C3N=CN=C4N)C

Isomeric SMILES

CC1(O[C@H]2[C@@H](C=C([C@H]2O1)/C=C/C#N)N3C=NC4=C3N=CN=C4N)C

InChI

InChI=1S/C16H16N6O2/c1-16(2)23-12-9(4-3-5-17)6-10(13(12)24-16)22-8-21-11-14(18)19-7-20-15(11)22/h3-4,6-8,10,12-13H,1-2H3,(H2,18,19,20)/b4-3+/t10-,12-,13+/m1/s1