(4aS,7R,8S,8aR)-8-[(E)-5-(6-azanylidene-3-methyl-purin-7-yl)-3-methyl-pent-3-enyl]-4,4,7,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol

Systemtic Name: (4aS,7R,8S,8aR)-8-[(E)-5-(6-azanylidene-3-methyl-purin-7-yl)-3-methyl-pent-3-enyl]-4,4,7,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol Openeye Name: (1S,2R,4aS,8aR)-1-[(E)-5-(6-imino-3-methyl-purin-7-yl)-3-methyl-pent-3-enyl]-1,2,5,5-tetramethyl-decalin-4a-ol CAS Name: (4aS,7R,8S,8aR)-8-[(E)-5-(6-imino-3-methyl-7-purinyl)-3-methylpent-3-enyl]-4,4,7,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol IUPAC Name: (4aS,7R,8S,8aR)-8-[(E)-5-(6-imino-3-methylpurin-7-yl)-3-methylpent-3-enyl]-4,4,7,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol Traditional Name: (1S,2R,4aS,8aR)-1-[(E)-5-(6-imino-3-methyl-purin-7-yl)-3-methyl-pent-3-enyl]-1,2,5,5-tetramethyl-decalin-4a-ol Formula: C26H41N5O MolecularWeight: 439.63664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(C(C1(C)CCC(=CCN3C=NC4=C3C(=N)N=CN4C)C)CCCC2(C)C)O

Isomeric SMILES

C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/CN3C=NC4=C3C(=N)N=CN4C)/C)CCCC2(C)C)O

InChI

InChI=1S/C26H41N5O/c1-18(11-15-31-17-29-23-21(31)22(27)28-16-30(23)6)9-13-25(5)19(2)10-14-26(32)20(25)8-7-12-24(26,3)4/h11,16-17,19-20,27,32H,7-10,12-15H2,1-6H3/b18-11+,27-22?/t19-,20-,25+,26+/m1/s1