[4-[6-azanylidene-9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-1-yl]-10-oxidanyl-1,2,3,4-tetrahydroanthracen-9-yl] ethanoate

Systemtic Name: [4-[6-azanylidene-9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-1-yl]-10-oxidanyl-1,2,3,4-tetrahydroanthracen-9-yl] ethanoate Openeye Name: [10-hydroxy-4-[9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-imino-purin-1-yl]-1,2,3,4-tetrahydroanthracen-9-yl] acetate CAS Name: acetic acid [10-hydroxy-4-[9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-imino-1-purinyl]-1,2,3,4-tetrahydroanthracen-9-yl] ester IUPAC Name: [10-hydroxy-4-[9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-iminopurin-1-yl]-1,2,3,4-tetrahydroanthracen-9-yl] acetate Traditional Name: acetic acid [4-[9-(2,2-dimethyl-6-methylol-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-6-imino-purin-1-yl]-10-hydroxy-1,2,3,4-tetrahydroanthracen-9-yl] ester Formula: C29H31N5O7 MolecularWeight: 561.58574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2CCCC(C2=C(C3=CC=CC=C31)O)N4C=NC5=C(C4=N)N=CN5C6C7C(C(O6)CO)OC(O7)(C)C

Isomeric SMILES

CC(=O)OC1=C2CCCC(C2=C(C3=CC=CC=C31)O)N4C=NC5=C(C4=N)N=CN5C6C7C(C(O6)CO)OC(O7)(C)C

InChI

InChI=1S/C29H31N5O7/c1-14(36)38-23-16-8-5-4-7-15(16)22(37)20-17(23)9-6-10-18(20)33-13-32-27-21(26(33)30)31-12-34(27)28-25-24(19(11-35)39-28)40-29(2,3)41-25/h4-5,7-8,12-13,18-19,24-25,28,30,35,37H,6,9-11H2,1-3H3